Molinspiration Publications 2014

Hundreds of researchers from academia and industry are using Molinspiration software and free Molinspiration molecular property calculation services, what resulted in over 5000 publications so far. Some publications citing and acknowledging Molinspiration are shown below.

Evaluation of drug candidature of some quinazoline-4-(3h)-ones as inhibitor of human dihydrofolatereductase enzyme: molecular docking and in silico studies
BK Tiwary, RK Pathak, K Pradhan… - Int J Pharm Pharm Sci …

Antibacterial and cytotoxic activities of Schiff base analogues of 4-aminoantipyrine
MS Alam, DU Lee, ML Bari - Journal of the Korean Society for Applied …

Molecular docking studies of antidiabetic activity of cinnamon compounds
J Ganugapati, S Swarna - Asian Journal of Pharmaceutical …

INSILCO IDENTIFICATION OF SUITABLE ACETUYLCHOLINESTERASE INHIBITORS FROM MORINDA CITRIFOLIA LINN. WITH REFERENCE TO ALZHEIMER'S …
K Praveen, K Yellamma - International Journal of …

Docking study of some Glutamic acid derivatives as potent antineoplastic agents
S DUTTAA, S RAYB, K Nagarajanc - Int. J. Pharm. Pharm. Sci

QSAR AND SYNTHESIS OF NOVEL DOPAMINE TRANSPORTER INHIBITORS
KNW C'ierra Link, J Keith - okdspace.wssu.edu

Computational analysis of Organobismuth compounds and their potential application as anti-tumor agents
S Lal, A Chattree, SH Khan… - International Journal of …

International Journal of Pharmacy
J Ganugapati, A Battu, A Aare - Citeseer

Rational design and synthesis of benzimidazole derivatives for the evaluation of biological activity
A Sandala -

Molecular Properties and Docking Studies of Benzimidazole Derivatives as Potential Peptide Deformylase Inhibitors
K Hemalatha, V Chakkaravarthi… - Asian Journal of …

Synthesis, alkylating activity and physicochemical study of nitrogen mustard agent for brain delivery
RK Singh - International Journal

Correlation studies between ADMET properties, drug-likeness scores and molecular descriptors in a series of protein tyrosine kinase inhibitors
MJM Takač, V Takač, M Barbarić… - 2nd International …

Antiviral activity of Ellagic Acid against envelope proteins from Dengue Virus through Insilico Docking
G Bupesh, RS Raja, K Saravanamurali… - International Journal of …

IN-SILICO ESTIMATION ON ORAL BIOAVAILABILITY AND DRUG-LIKENESS OF MONO AND BIS-MANNICH BASES OF PIPERAZINE DERIVATIVES
G Prasanthi - jgtps.com

SYNTHESIS, CHARACTERISATION AND BIOLOGICAL EVALUATION OF SOME PYRAZOLONE DERIVATIVES SYNTHESIS, CHARACTERISATION AND …
C Buvana, A Sumathy, AMSAM Sunny, M Sukumar - Citeseer

Comparative assessment of in vitro and in vivo biological activity of some anthracene-derived aminophosphonates, bis-aminophosphonates and poly ( …
M Topashka-Ancheva, B Nikolova-Mladenova… - bioscience.scientific-journal.com

In silico design and computational study of novel 1, 3, 4-thiadiazole derivatives as potential affinity with Na/H exchanger receptor for anticonvulsant activity
V Raj, A Rai, JK Rawat - PharmaTutor

In silico analysis to compare the effectiveness of assorted drugs prescribed for swine flu in diverse medicine systems
K Raja, A Prabahar, S Selvakumar… - Indian journal of …

Docking Study of Inhibition Activity of Biflavonoids against COX-1 Receptor
G Siva, K Vetrivelmurugan, K Vinothkumar… - Journal of Advanced …

New eco-friendly 1-alkyl-3-(4-phenoxybutyl) imidazolium-based ionic liquids derivatives: A green ultrasound-assisted synthesis, characterization, antibacterial …
M Messali, MR Aouad, WS El-Sayed, A Al-Sheikh Ali… - Molecules

In silico evaluation of angiotensin II receptor antagonist's plasma protein binding using computed molecular descriptors
J Odović, J Trbojević-Stanković - Acta Medica Medianae

Ligand based Virtual Screening and Pharmacophore Studies of Aminobisphosphonate for FPPS Inhibitors as Anticancer Targets
M MESMOUDI, I DAOUD, S GHALEM - Journal: Journal of Advances in … - researchgate.net

Three-parameter modeling of the soil sorption of acetanilide and triazine herbicide derivatives
MR Freitas, SVBG Matias, RLG Macedo… - Bulletin of environmental …

Molecular docking analysis of curcumin analogues as human neutrophil elastase inhibitors
R Narayanaswamy, LK Wai, F Abas… - Bangladesh Journal …

Identification of Novel Dihydrofolate Reductase Inhibitor as Potential Antimalarial Drug: In silico Studies
Z Iqbal, M Hassan, J Munir, IM Farah… - Pakistan Journal of …

Computational evaluation and experimental verification of antibacterial and antioxidant activity of 7-hydroxy-3-pyrazolyl-4H-chromen-4-ones and their o-glucosides: …
J Sheikh, K Hatzade, A Bader, U Shaheen… - Medicinal Chemistry …

Discovery of Potential, Non‐Toxic Influenza Virus Inhibitor by Computational Techniques
V Karthick, AP Toropova, AA Toropov… - Molecular …

Substituted thieno [2, 3-b] thiophenes and related congeners: Synthesis, β-glucuronidase inhibition activity, crystal structure, and POM analyses
YN Mabkhot, A Barakat, S Yousuf, MI Choudhary… - Bioorganic & medicinal …

Cytotoxicity and genotoxicity of phenazine in two human cell lines
CF McGuigan, XF Li - Toxicology in Vitro

SYNTHESIS, CYTOTOXIC EVALUATION AND MOLECULAR PROPERTIES STUDIES OF NOVEL BENZIMIDAZOLE DERIVATIVES WITH DITHIOCARBAMATE …
TS Jyostna, G Achaiah - pharmacophorejournal.com

In silico docking studies of selected flavonoids-Natural healing agents against breast cancer
J Suganya, M Radha, DL Naorem… - Asian Pac J Cancer …

Macrocystis angustifolia is a potential source of enzyme inhibitors linked to type 2 diabetes and dementia
KRR Rengasamy, MA Aderogba, SO Amoo… - Journal of Applied …

Xanthenedione derivatives, new promising acetylcholinesterase inhibitor agents
A Seca, S Leal, D Pinto, M do Carmo Barreto… - Planta …

STRUCTURE BASED DRUG DESIGN FROM PANDURATIN A AGAINST NS2B/NS3 PROTEIN
P Parida, RNS Yadav - Indo American Journal of Pharmaceutical …

QSAR Studies of the impact of structural features of benzodiazepine drugs on their toxicity
E Pajazetović -

Design, synthesis and evaluation of Schiff bases & thiazolidinone derivatives for anticonvulsant activity.
N Batra, S Batra, BP Nagori -

Studies on molecular properties prediction, antitubercular and antimicrobial activities of novel quinoline based pyrimidine motifs
NC Desai, GM Kotadiya, AR Trivedi - Bioorganic & medicinal chemistry …

Computational POM evaluation of experimental in vitro Trypanosoma cruzi and Mycobacterium tuberculosis inhibition of heterocyclic-2-carboxylic acid (3-cyano-1, 4- …
TB Hadda, H Bendaha, J Sheikh, M Ahmad… - Medicinal Chemistry …

Design, synthesis, and evaluation of isoniazid derivatives acting as potent anti-inflammatory and anthelmintic agents via Betti reaction
I Mohanram, J Meshram - Medicinal Chemistry Research

Journal of Chemical and Pharmaceutical Research, 2014, 6 (11): 493-499
A Nag, A Mukherjee - Journal of Chemical and Pharmaceutical …

Molecular mechanisms involved in the cytotoxicity induced by coumarins from Calophyllum brasiliense in K562 leukaemia cells
JC Gomez‐Verjan, EA Estrella‐Parra… - Journal of Pharmacy …

Inhibitors of the glyoxylate cycle enzyme ICL1 in Candida albicans for potential use as antifungal agents
HL Cheah, V Lim, D Sandai - PloS one

IN-SILICO DOCKING INVESTIGATION, SYNTHESIS AND INVITRO ANTICANCER STUDY OF BENZOXAZOLE DERIVATIVES
G Shitha, VKKB AMMA, G BABU… - Journal of Drug Delivery …

P1 and P1′ para-fluoro phenyl groups show enhanced binding and favorable predicted pharmacological properties: Structure-based virtual screening of extended …
RS Yedidi, Z Liu, IA Kovari, PM Woster… - Journal of Molecular …

ANTIMICROBIAL ACTIVITY AND DRUG-LIKENESS OF 4, 5-DISUBSTITUTED 1-(PHENYL)-1H-1, 2, 3-TRIAZOLE ANALOGUES
MS Alam, Y Ozoe - researchgate.net

Prediction of In-silico ADME Properties of 1, 2-O-Isopropylidene Aldohexose Derivatives
SZ Kovačević, LR Jevrić, SOP Kuzmanović… - Iranian journal of …

Journal of Chemical and Pharmaceutical Research, 2014, 6 (3): 1273-1278
S Sajitha Lulu, A Shamundeeswari… - Journal of Chemical …

In vitro phenotypic screening of 7-chloro-4-amino (oxy) quinoline derivatives as putative anti-Trypanosoma cruzi agents
C Fonseca-Berzal, FAR Ruiz, JA Escario… - Bioorganic & medicinal …

Molecular modeling of a series of pyridinecarboxamidrazone-azole derivatives with antifungal activity
L Terra, HC Castro, PA Abreu - Medicinal Chemistry Research

Drug analogs of COX-2 selective inhibitors lumiracoxib and valdecoxib derived from in silico search and optimization
R Bartzatt - Anti-Inflammatory & Anti-Allergy Agents in …

An in silico approach to discover potential inhibitors against multi_drug resistant bacteria producing new-delhi metallo-β-lactamase 1 (ndm-1) enzyme
H Chetia, DK Sharma, R Sarma, A Verma - Int J Pharm Pharm Sci

Energy transfer in aggregates of bacteriochlorophyll c self-assembled with azulene derivatives
M Matěnová, VL Horhoiu, FX Dang… - Physical Chemistry …

POM analyses of antimicrobial activity of some 2, 3-armed 4, 5, 6, 7-tetrahydro-1-benzothiophenes: favourable and unfavourable physico-chemical parameters in …
TB Hadda, S Srivastava, B Das… - Medicinal Chemistry …

V Baskar, C Jayalakshmi… - … of Biological & …, 2014 - BioLim Publishing & Education …
SA Bai, SJ Tangeda, M Madhavi… - INDIAN …

IN-SILICO DESIGN, SYNTHESIS AND IN VITRO ANTITUBERCULAR ACTIVITY OF NOVEL 1, 2, 4-TRIAZOLE DERIVATIVES
K Arul, AA Smith - International Journal of Pharmacy and …

Virtual screening of compounds derived from Garcinia pedunculata as an inhibitor of gamma hemolysin component A of Staphylococcus aureus
T Chowdhury - Bangladesh Journal of Pharmacology

Pharmacophore Modeling and Molecular Docking Studies on Pinus roxburghii as a Target for Diabetes Mellitus
P Kaushik, S Lal Khokra, AC Rana… - Advances in …

Microwave assisted synthesis and docking study of N-(2-oxo-2-(4-oxo-2-substituted thiazolidin-3ylamino) ethyl) benzamide derivatives as anticonvulsant agents
APG Nikalje, AN Shaikh, SI Shaikh, FAK Khan… - Bioorganic & medicinal …

An Insilico Appraisal of Few Bioactive Compounds against Beta Keto Acyl ACP Synthase III for Antitubercular Efficacy
C Buvana, S Srinivasan, VS Shruthy… - Asian Journal of …

Drug-like Properties of Some Esters of ortho-/meta-/para-Alkoxyphenylcarbamic Acid Containing N-Phenylpiperazine Fragment
I Malík - Global Journal of Medical Research

RP-HPTLC Retention Data in Correlation with the In-silico ADME Properties of a Series of s-triazine Derivatives
LR Jevrić, SO Podunavac-Kuzmanović… - Iranian journal of …

Two Novel Alkylating Structural Analogues of Chloramphenicol Suitable for Topical Treatment of Dermal Neoplasms
R Bartzatt - Journal of Advances in Medical and Pharmaceutical …

Protein Arginine N‐Methyltransferase Substrate Preferences for Different Nη‐Substituted Arginyl Peptides
D Thomas, T Koopmans, TM Lakowski… - …

SYNTHESIS, BIOLOGICAL EVALUATION AND MOLECULAR PROPERTIES PREDICTION OF TRISUBSTITUTED PYRIMIDINES
S Hemalatha, B Lakshmi, V Jyothia… - Indo American Journal …

Synthesis of 1H‐Imidazoles Catalyzed by Cu‐Nanoparticle and Its Physicochemical Properties
R Pagadala, NV Gandhare… - Journal of …

IN-SILICO DESIGN, SYNTHESIS AND IN VITRO ANTICANCER AND ANTITUBERCULAR ACTIVITY OF NOVEL AZETIDINONE CONTAINING ISATIN DERIVATIVES
K Arul, KS Sunisha, J Kumaran - International Journal of …

POM analyses for antimicrobial evaluation of thienopyrimidinones derivatives: a rapid method for drug design
TB Hadda, M Ahmad, S Sultana, U Shaheen… - Medicinal Chemistry …

SYNTHESIS, BIOLOGICAL EVALUATION AND MOLECULAR PROPERTIES PREDICTION OF 1, 3, 5-TRISUBSTITUTED 2-PYRAZOLINE DERIVATIVES
H Sattu, B Lakshmi, R Prasad - ijpsr.com

Moulay H. Youssoufi, Taibi Ben Hadda, Ismail Warad, Muhammad Moazzam Naseer, Yahia Nasser Mabkhot &
A Bader - researchgate.net

Antiproliferative Activity of 2, 3, 6, 7-Tetrahydro-1H-benzo [a] quinolizino [1, 9-hi] phenoxazin-14 (5H)-iminium Chloride Derivatives
MI Leitão, BR Raju, MJ Sousa, MST Gonçalves - 18th Electronic Conference …

Identification of Novel Hepatitis C virus NS3-4A protease inhibitors by virtual screening approach
A Kumar, R Gupta, K Verma, K Iyer… - Journal of Microbial & …

Design of Multi-Target Compounds as AChE, BACE1, and Amyloid-β1-42 Oligomerization Inhibitors: In Silico and In Vitro Studies
M Hernández-Rodríguez… - Journal of …

IN-SILICO DESIGN, SYNTHESIS AND IN VITRO ANTICANCER EVALUATION OF SOME NOVEL 1, 2, 4-TRIAZOLE DERIVATIVES
AA Smith - experimentjournal.com

DESIGN, SYNTHESIS AND BIOLOGICAL EVALUATION OF STEROIDAL TETRAZOLES AS ANTIPROLIFERATIVE AND ANTIOXIDANT AGENTS
M Asif, A Ali, A Mashrai, H Khanam… - European Chemical …

Fused heterocyclic compounds bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 1: design, synthesis and biological evaluation of novel 5, 7-disubstituted …
Y Tian, D Du, D Rai, L Wang, H Liu, P Zhan… - Bioorganic & medicinal …

Molecular Modeling and Docking Analysis of CYP1A1 Associated with Head and Neck Cancer to Explore its Binding Regions
SA Sehgal, RA Tahir, S Shafique… - Journal of Theoretical …

Estimation of Lipophilicity and Retention Behavior of Some Alpha Adrenergic and Imidazoline Receptor Ligands Using RP-TLC
MS Mohamed Shenger, S Filipic, K Nikolic… - Journal of Liquid …

Alkamides from Echinacea disrupt the fungal cell wall-membrane complex
I Cruz, JJ Cheetham, JT Arnason, JE Yack, ML Smith - Phytomedicine

Screening of Bioactive Compounds against Nonreceptor Fyn Kinase: Virtual Screening and Network Approach
T Amalraj, S Kumari, S Lulu, M Arumugam - International Journal for …

Phenylboronic Acid-Installed Polycarbonates for the pH-Dependent Release of Diol-Containing Molecules
YE Aguirre-Chagala, JL Santos, Y Huang… - ACS Macro …

Siham Lahsasni, Taibi Ben Hadda, Vijay Masand, Naziyanaz B. Pathan, Ali Parvez, Ismail Warad, Usama Shaheen
A Bader - researchgate.net

Impact of geometric parameters, charge, and lipophilicity on bioactivity of armed quinoxaline, benzothiaole, and benzothiazine: POM analyses of antibacterial and …
TB Hadda, FZ Khardli, M Mimouni… - … , Sulfur, and Silicon …

In-Silico search of Tailored Cox-2 Inhibitors: Screening of Quinazolinone derivatives via molecular modeling Tools
S Abdul, A Bahar, H Mohsin, H Anzarul - International Journal of Drug …

Determination of Dermal Permeability Coefficient (Kp) by Utilizing Multiple Descriptors in Artificial Neural Network Analysis and Multiple Regression Analysis
R Bartzatt - researchgate.net

Modelling passive absorption properties of phytochemicals using physicochemical properties
SN Selby-Pham, FR Dunshea, KS Howell… - … Lives, Livelihoods and …

A SAM-dependent methyltransferase cotranscribed with arsenate reductase alters resistance to peptidyl transferase center-binding antibiotics in Azospirillum …
S Singh, C Singh, AK Tripathi - Applied microbiology and biotechnology

Lipophilization of ascorbic acid: A monolayer study and biological and antileishmanial activities
N Kharrat, I Aissa, M Sghaier, M Bouaziz… - Journal of agricultural …

Antimicrobial activity of naturally occurring antibiotics Monensin, Lasalocid and their metal complexes
M Mimouni, FZ Khardli, I Warad, M Ahmad… - J. Mater. Environ. …

Facile and efficient preparation of hybrid phenylthiazolyl-1, 3, 5-triazines and their antidepressant-like effect in mice
A Gahtori, A Kumar, P Kothiyal, P Gahtori - Tetrahedron Letters

De novo design and in-silico studies of novel bis-arylpiperazine derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase
A Yadav, S Chander, H Lathiya, H Sharma… - Journal of …

SYNTHESIS AND EVALUATION OF 2-AMINO-5-(PYRIDIN-3YL)-1, 3, 4 THIADIAZOLE DERIVATIVES
K Rajitha, M Sreejith, R Raju - Journal of …

Design, Synthesis and Evaluation of New 2, 6-Dihydroimidazo [1, 2-c] Pyrimido [5, 4-e]-Pyrimidine-5 (3H)-thiones as Possible Antihistaminic/Antiasthmatic …
K Sirisha, G Achaiah, ARR Rao - Indian journal of pharmaceutical …

Ginger components as new leads for the design and development of novel multi-targeted anti-Alzheimer's drugs: a computational investigation
F Azam, AM Amer, AR Abulifa… - … design, development and …

Pharmacoinformatics elucidation of potential drug targets against migraine to target ion channel protein KCNK18
SA Sehgal, M Hassan, S Rashid - Drug design, development and …

Moulay H. Youssoufi, Pramod K. Sahu, Praveen K. Sahu, Dau D. Agarwal, Mushtaq Ahmad, Mouslim Messali
S Lahsasni - researchgate.net

Synthesis and biological activities of 4-aminoantipyrine derivatives derived from betti-type reaction
I Mohanram, J Meshram - ISRN organic chemistry

Synthesis, characterization and in vitro anticancer activity of C-5 curcumin analogues with potential to inhibit TNF-α-induced NF-κB activation
A Anthwal, BK Thakur, MSM Rawat… - BioMed research …

Exploring N-acylhydrazone derivatives against clinical resistant bacterial strains
AC Lannes, B Leal, JS Novais, V Lione… - Current …

Glycyrrhetinic acid and E. resveratroloside act as potential plant derived compounds against dopamine receptor D3 for Parkinson's disease: a pharmacoinformatics …
MU Mirza, AM Mirza, NUH Ghori… - Drug design, …

A comparative ex vivo drug permeation study of beta-blockers through porcine buccal mucosa
S Amores, J Lauroba, A Calpena, H Colom… - International journal of …

Natural product mixture analysis by matrix-assisted DOSY using Brij surfactants in mixed solvents
MGS Vieira, NV Gramosa, NMPS Ricardo, GA Morris… - RSC Advances

Synthesis and evaluation of a 18 F-curcumin derivate for β-amyloid plaque imaging
J Rokka, A Snellman, C Zona, B La Ferla… - Bioorganic & medicinal …

Isovitexin from Kigelia pinnata, a potential eco-friendly nematicidal agent
O Atolani, OA Fabiyi, GA Olatunji - Trop Agric

Relationships between Molecular Descriptors, Drug-likeness, ADMET Parameters and Biological Activity of Tyrosine Kinase Inhibitors in a Series of Quinoline, …
MJM Takac, V Takac, M Barbaric… - … 2020–The Rise of a New …

Fluorophore‐Labeled Cyclooxygenase‐2 Inhibitors for the Imaging of Cyclooxygenase‐2 Overexpression in Cancer: Synthesis and Biological Studies
A Bhardwaj, J Kaur, F Wuest, EE Knaus - ChemMedChem

Synthesis, characterization, and antibacterial activity of a novel heterocyclic Schiff's base and its metal complexes of first transition series
RP Saini, V Kumar, AK Gupta, GK Gupta - Medicinal Chemistry Research

Synthesis and effect of substituent position on anti-inflammatory activity of 3-(halobenzyl) isocarbostyrils
TM Babar, MM Naseer, FI Ali, NH Rama… - Medicinal Chemistry …

Optimization of 6-Heterocyclic-2-(1 H-pyrazol-1-yl)-N-(pyridin-2-yl) pyrimidin-4-amine as Potent Adenosine A2A Receptor Antagonists for the Treatment of Parkinson's …
J Zheng, Z Yang, X Li, L Li, H Ma, M Wang… - ACS chemical …

Design, Synthesis and Screening of Newer-8-Hydroxy Quinoline Derivatives as Novel Anti Tubercular Agents
SR Surekha, L Joseph, M George - International Journal of Applied …

Reversible redox system-based drug design, synthesis, and evaluation for targeting nitrogen mustard across brain
RK Singh, S Kumar, DN Prasad… - Medicinal Chemistry …

C5-curcuminoid-dithiocarbamate based molecular hybrids: synthesis and anti-inflammatory and anti-cancer activity evaluation
A Anthwal, K Singh, MSM Rawat, AK Tyagi… - RSC Advances

Design, synthesis, chemical and biological evaluation of brain targeted alkylating agent using reversible redox prodrug approach
RK Singh, DN Prasad, TR Bhardwaj - Arabian Journal of Chemistry

Substituted phenyl containing 1, 3, 4-oxadiazole-2-yl-but-2-enamides: synthesis and preliminary evaluation as promising anticonvulsants
N Siddiqui, MJ Akhtar, MS Yar, P Ahuja… - Medicinal Chemistry …

Activation energies of diffusion of organic migrants in cyclo olefin polymer
F Welle - International journal of pharmaceutics

Isolation and evaluation of antiglycation potential of polyalthic acid (furano-terpene) from Daniella oliveri
O Atolani, GA Olatunji - Journal of Pharmaceutical Analysis

Design, synthesis and anticonvulsant activity of some new 6, 8-halo-substituted-2h-[1, 2, 4] triazino [5, 6-b] indole-3 (5h)-one/-thione and 6, 8-halo-substituted …
R Kumar, T Singh, H Singh, S Jain, RK Roy - EXCLI journal

Synthesis, antibacterial screening, and POM analyses of novel bis-isoxazolyl/pyrazolyl-1, 3-diols
H Juneja, D Panchbhai, J Sheikh, V Ingle… - Medicinal Chemistry …

Interfaces of dicationic ionic liquids and graphene: a molecular dynamics simulation study
S Li, G Feng, PT Cummings - Journal of Physics: Condensed …

Synthesis and biological evaluation of 2-Aminobenzamide derivatives as antimicrobial agents: Opening/Closing pharmacophore site
YN Mabkhot, AM Al-Majid, A Barakat… - International journal of …

Synthesis, Antileishmanial Activity and Docking Study of N′-Substitutedbenzylidene-2-(6, 7-dihydrothieno [3, 2-C] pyridin-5 (4H)-yl) acetohydrazides
JN Sangshetti, RI Shaikh, FAK Khan, RH Patil… - Bioorganic & medicinal …

In vitro modeling of angiotensin-converting enzyme inhibitor's absorption with chromatographic retention data and selected molecular descriptors
J Odović, B Marković, S Vladimirov… - … of Chromatography B

ИССЛЕДОВАНИЕ ЗАВИСИМОСТИ «ХИМИЧЕСКАЯ СТРУКТУРА-АНТИГИПОКСИЧЕСКОЕ ДЕЙСТВИЕ» В РЯДУ ПРОИЗВОДНЫХ ИНДОЛА И 2-ОКСИНДОЛА, …
РГ РЕДЬКИН, ВП ЧЕРНЫХ, ЛА ШЕМЧУК… - ЖУРНАЛ ОРГАНІЧНОЇ …

Diseño de moléculas con potencial terapéutico para la enfermedad de Parkinson debida a la sobreexpresión de PARP-1 a partir del análisis del acoplamiento …
A Durand-Silva, S Pérez-Gulias, E Mauriño-Reyes… - academia.edu

De novo design and in-silico studies of novel 1-phenyl-2, 3, 4, 9-tetrahydro-1H-pyrido [3, 4-b] indole-3-carboxylic acid derivatives as HIV-1 reverse transcriptase …
A Penta, S Chander, S Ganguly… - Medicinal Chemistry …

Molecular Docking study of Catechins compounds from Camellia sinensis against UPPS in Staphylococcus aureus
A Parimelzanghan, P Lavanya, A Anbarasu… - International Journal for …

Catalyst Promoted Synthesis, Computational and Enzyme Inhibition Studies of Coumarin Esters
M Parveen, F Ahmad, AM Malla, M Alam, DU Lee - Catalysis Letters

Cyclodidepsipeptides with a promising scaffold in medicinal chemistry
A Smelcerovic, P Dzodic, V Pavlovic, E Cherneva… - Amino acids

Strain‐Based In Situ Study of Anion and Cation Insertion into Porous Carbon Electrodes with Different Pore Sizes
JM Black, G Feng, PF Fulvio… - Advanced Energy …

Photodynamic inactivation of bioluminescent Escherichia coli by neutral and cationic pyrrolidine-fused chlorins and isobacteriochlorins
MQ Mesquita, JC Menezes, MG Neves… - Bioorganic & medicinal …

Non-linear assessment of anticancer activity of 17-picolyl and 17-picolinylidene androstane derivatives–Chemometric guidelines for further syntheses
SZ Kovačević, SO Podunavac-Kuzmanović… - European Journal of …

Analyzing methods for path mining with applications in metabolomics
S Tagore, N Chowdhury, RK De - Gene

MOLECULAR MODELLING STUDIES, SYNTHESIS AND ANTIMICROBIAL SCREENING OF SOME NOVEL SULPHONAMIDE QUINAZOLIN-4 (3H)-ONE …
B AHMED, A SAMAD, M HASAN - ijppsjournal.com

Transient plasmon-like modes in multi-level quantum emitter systems
MJ Gentile, WL Barnes - SPIE …

Дослідження залежності
РГ Редькін, ВП Черних, ЛА Шемчук… - Журнал органічної …

Дослідження залежності" хімічна структура-антигіпоксична дія" в ряду похідних індолу та 2-оксіндолу, які містять етиламіновий фрагмент
РГ Редькін, ВП Черних, ЛА Шемчук, НА Цубанова… -

Experimental and theoretical studies on the molecular properties of ciprofloxacin, norfloxacin, pefloxacin, sparfloxacin, and gatifloxacin in determining bioavailability
E Kłosińska-Szmurło, FA Pluciński, M Grudzień… - Journal of biological …

Anticancer ruthenium (η6-p-cymene) complexes of nonsteroidal anti-inflammatory drug derivatives
F Aman, M Hanif, WA Siddiqui, A Ashraf, LK Filak… - …

Design, synthesis and docking studies of some novel isocoumarin analogues as antimicrobial agents
Z Ashraf, A Saeed, H Nadeem - RSC Advances

Expanding on the Structural Diversity of Flavone-Derived RutheniumII (ƞ6-arene) Anticancer Agents
M Kubanik, JKY Tu, T Söhnel, M Hejl, MA Jakupec… - …

New chelating agents for Cu (II), Fe (III), Al (III), and Zn (II) based on β-diketonate-3-substituted phthalide (isobenzofuranone) and isoindolinone
L Di Matteo, O Christodoulakis, R Filosa… - Journal of …

Structural Optimization of Berberine as a Synergist to Restore Antifungal Activity of Fluconazole against Drug‐Resistant Candida albicans
H Liu, L Wang, Y Li, J Liu, M An, S Zhu, Y Cao… - …

Molecular modeling and docking studies of O-succinylbenzoate synthase of M. tuberculosis—a potential target for antituberculosis drug design
M Pulaganti, B Banaganapalli, C Mulakayala… - Applied biochemistry …

Drug design targeting protein–protein interactions (PPIs) using multiple ligand simultaneous docking (MLSD) and drug repositioning: discovery of Raloxifene and …
H Li, H Xiao, L Lin, D Jou, V Kumari… - Journal of medicinal …

IDENTIFICATION OF POTENTIAL ONCOGENE AND TRANSCRIPTION FACTOR INHIBITORS USING IN-SILICO METHODS
K Paul, P Bagchi -

Investigation of fluorinated and bifunctionalized 3-phenylchroman-4-one (isoflavanone) aromatase inhibitors
E Amato, T Bankemper, R Kidney, T Do, A Onate… - Bioorganic & medicinal …

Synthesis and Anticancer Activity of N-Aryl-5-substituted-1, 3, 4-oxadiazol-2-amine Analogues
MJ Ahsan, J Sharma, M Singh, SS Jadav… - BioMed research …

Rectification in tunneling junctions: 2, 2′-bipyridyl-terminated n-alkanethiolates
HJ Yoon, KC Liao, MR Lockett, SW Kwok… - Journal of the …

Synthesis of and Biological Study of 7-Benzyl-3-aminobenzimidazo [3, 2-a] quinolinium Chloride (ABQ-48: NSC D-763307) and 7-benzyl-3-nitrobenzimidazo [3, 2-a] …
O Cox, C Vélez, V Kumar, SV Malhotra… - Current Bioactive …

Thermal and oxidative stability of the Ocimum basilicum L. essential oil/β-cyclodextrin supramolecular system
DI Hădărugă, NG Hădărugă… - Beilstein journal of …

Synthesis, Evaluation and Docking studies of Cholecalciferol Derivative
AM Dar, A Rizvi, I Naseem - Oriental Journal of Chemistry

In silico study on Penicillin derivatives and Cephalosporins for upper respiratory tract bacterial pathogens
KM Kumar, P Anitha, V Sivasakthi, S Bag, P Lavanya… - 3 Biotech

Design, Synthesis and Bioevaluation of Novel N‐Substituted‐3, 5‐Bis (Arylidene)‐4‐piperidone Derivatives as Cytotoxic and Antitumor Agents with Fluorescent …
J Sun, S Zhang, C Yu, G Hou, X Zhang… - Chemical biology & …

Diseño basado en herramientas quimioinformáticas de agonistas del Receptor X Hepático como potenciales fármacos para el tratamiento de la Ateroesclerosis
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Binding Energy Calculation of Patchouli Alcohol Isomer Cyclooxygenase Complexes Suggested as COX-1/COX-2 Selective Inhibitor
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In silico design, synthesis, anti-inflammatory and anticancer evaluation of pyrazoline analogues of vanillin
MJ Neethu, S Yusuf - Int J Pharm Sci Drug Res

Estudo comparativo de raízes de Jatropha mollissima sertão/praia, das castanhas de caju (anacardium occidentale l.) de diferentes plantios e estudo in vitro e in silico …
SJM Santos -

Design, synthesis and biological evaluation of novel thiosemicarbazide analogues as potent anticonvulsant agents
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SJ Raharjo
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1, 3-Dipolar cycloadditions. Part-XXVIII: Selective 1, 3-dipolar cycloadditions of C-aryl-N-phenyl nitrones to arylidene acetones
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Synthesis, characterization, and biological evaluation of thiazolidine-2, 4-dione derivatives
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Design, synthesis, and biological evaluation of (e)-3, 4-dihydroxystyryl aralkyl sulfones and sulfoxides as novel multifunctional neuroprotective agents
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Prokaryotic NavMs channel as a structural and functional model for eukaryotic sodium channel antagonism
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Novel compounds lowering the cellular isoform of the human prion protein in cultured human cells
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Synthesis and pharmacological evaluation of polyfunctional benzimidazole-NSAID chimeric molecules combining anti-inflammatory, immunomodulatory and …
Y Bansal, O Silakari - Archives of pharmacal research

International Journal of Pharmaceutical Research & Analysis
B Patel Nikunj, C Patel Kaushik - ijpra.com

IN SILICO EVALUATION OF SMALL MOLECULE INHIBITORS OF 1H 1, 2, 4-TRIAZOLES AND 2, 4, 5-TRISUBSTITUTED IMIDAZOLES AGAINST 2 ABL …
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COMPARATIVE ASSESMENT OF IN VITRO AND IN VIVO BIOLOGICAL ACTIVITY OF SOME RECENTLY SYNTHESIZED AMINOPHOSPHONATES, BIS- …
M Topashka-Ancheva, B Nikolova-Mladenova… - bsphs.org

Insilico Analysis of Binding of Boeravinone E with GMCSFR and Tnfαr
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Vascular effects of diphenylmethoxypiperidine-derived dopamine uptake inhibitors
VM Pulgar, JK Harp - Bioorganic & medicinal chemistry letters

Extraction of bioactive compounds from millingtonia hortensis for the treatment of dapsone resistance in leprosy
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C. pseudotuberculosis Phop confers virulence and may be targeted by natural compounds
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Synthesis, antibacterial, antioxidant activity and QSAR studies of novel 2-arylidenehydrazinyl-4-arylthiazole analogues
MS Alam, JU Ahmed, DU Lee - Chemical and Pharmaceutical Bulletin

Novel Tacrine Analogs as Potential Cholinesterase Inhibitors in Alzheimer's Disease
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Design, Synthesis and Evaluation of Antitubercular Activity of Mannich Bases of Isoniazid-Containing Thiazolidin-4-one Rings
B Thomas, J Harindran - Drug discovery

Optical biosensor analysis in studying new synthesized bicalutamide analogs binding to androgen receptor
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Structure modeling and hybrid virtual screening study of Alzheimer's associated protease kallikrein 8 for the identification of novel inhibitors
SS Azam, S Raza - Medicinal Chemistry Research

Synthesis, biological evaluation, and molecular docking studies of N-(α-acetamido cinnamoyl) aryl hydrazone derivatives as antiinflammatory and analgesic agents
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Dua'Y. Alawadi, Haythem A. Saadeh, Hargobinder Kaur, Kapil Goyal, Rakesh Sehgal, Taibi Ben Hadda, Naser
A ElSawy, MS Mubarak - researchgate.net

Identification of two new phenathrenones and a saponin as antiprotozoal constituents of Drypetes gerrardii
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Alanine-rich amphiphilic peptide containing the RGD cell adhesion motif: a coating material for human fibroblast attachment and culture
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High-affinity small-molecule inhibitors of the menin-mixed lineage leukemia (MLL) interaction closely mimic a natural protein–protein interaction
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Synthesis of 1-aroyl-3, 5-dimethyl-1H-pyrazoles as anti-HCV and anticancer agents
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Design, docking, synthesis and anticancer activity of some novel 2-(4-methylbenzenesulphonamido) pentanedioic acid amide derivatives
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Synthesis and evaluation of the anticonvulsant activity of 8-alkoxy-4, 5-dihydrobenzo [b][1, 2, 4] triazolo [4, 3-d][1, 4] thiazepine derivatives
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International Journal Pharmaceutica
J Żwawiak, W Perdoc - Life Sciences

Identification of potential inhibitor targeting enoyl-acyl carrier protein reductase (InhA) in Mycobacterium tuberculosis: a computational approach
V Shanthi, K Ramanathan - 3 Biotech

Non‐natural Acetogenin Analogues as Potent Trypanosoma brucei Inhibitors
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In silico models to predict dermal absorption from complex agrochemical formulations
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SYNTHESIS, DRUGLIKENESS AND ELECTRO-OPTICAL PARAMETERS ESTIMATION OF SOME MONOTERPENIC ESTER DERIVATIVES OF …
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COMPUTATIONAL MODELING AND ANALYSIS OF THEORETICAL STRUCTURE OF CORNEODESMOSIN RECEPTOR PROTEIN WITH EXISTING …
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Synthesis, anticonvulsant activity and molecular properties prediction of dialkyl 1-(di (ethoxycarbonyl) methyl)-2, 6-dimethyl-4-substituted-1, 4-dihydropyridine-3, 5- …
G Prasanthi, K Prasad, K Bharathi - European journal of medicinal …

Synthesis, crystal structure and antiproliferative activity of Cu (II) nalidixic acid–DACH conjugate: Comparative in vitro DNA/RNA binding profile, cleavage activity and …
F Arjmand, I Yousuf, T ben Hadda, L Toupet - European journal of …

Deoxyribonuclease inhibitors
A Kolarevic, D Yancheva, G Kocic… - European journal of …

A novel green synthesis of α/β-amino acid functionalized pyrimidinone peptidomimetics using triazole ligation through click-multi-component reactions
B Balan, D Bahulayan - Tetrahedron Letters

A knowledge-based approach for identification of drugs against vivapain-2 protein of Plasmodium vivax through pharmacophore-based virtual screening with …
MK Yadav, A Singh, D Swati - Applied biochemistry and biotechnology

Expanding the scope of the crystallization-driven self-assembly of polylactide-containing polymers
A Pitto-Barry, N Kirby, AP Dove, RK O'Reilly - Polymer Chemistry

The Jmol Virtual Molecular Model Kit: A Resource for Teaching and Learning Chemistry
O Rothenberger, TA Newton, RM Hanson, M Sitzmann - ccce.divched.org

Supercritical CO 2 extraction of bioactive Tyrian purple precursors from the hypobranchial gland of a marine gastropod
D Rudd, K Benkendorff - The Journal of Supercritical Fluids

Ionic liquid based EDLCs: influence of carbon porosity on electrochemical performance
A Noofeli, PJ Hall, AJR Rennie - Faraday discussions

Synthesis, evaluation and docking studies on steroidal pyrazolones as anticancer and antimicrobial agents
A Mashrai, A Ahmad, AM Dar, H Khanam… - Medicinal Chemistry …

SYNTHESIS AND MOLECULAR MODELLING STUDIES OF SUBSTITUTED NOVEL ARYL AMIDE ANALOGUES AND EVALUATION OF THEIR …
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Synthesis of novel pyrazole–thiadiazole hybrid as potential potent and selective cyclooxygenase-2 (COX-2) inhibitors
SG Alegaon, MB Hirpara, KR Alagawadi… - Bioorganic & medicinal …

Studies on molecular properties prediction and histamine H 3 receptor affinities of novel ligands with uracil-based motifs
L Lipani, D Odadzic, L Weizel, JS Schwed… - European journal of …

A method for the simultaneous determination of chlorogenic acid and sesquiterpene lactone content in industrial chicory root foodstuffs
H Willeman, P Hance, A Fertin, N Voedts… - The Scientific World …

Synthesis, characterization and preliminary anticonvulsant evaluation of some flavanone incorporated semicarbazides
CS Sharma, T Verma, HP Singh, N Kumar - Medicinal Chemistry …

Insight into the Interactions between Novel Coumarin Derivatives and Human A3 Adenosine Receptors
MJ Matos, S Vilar, S Kachler, A Fonseca… - …

Chemo-and bioinformatics resources for in silico drug discovery from medicinal plants beyond their traditional use: a critical review
AA Lagunin, RK Goel, DY Gawande, P Pahwa… - Natural product …

Composite fluorescent nanoparticles for biomedical imaging
VJ Pansare, MJ Bruzek, DH Adamson… - Molecular Imaging and …

Migration of nanoparticles from plastic packaging materials containing carbon black into foodstuffs
J Bott, A Störmer, R Franz - Food Additives & Contaminants: Part A

Carbonic anhydrase inhibition by 1-aroyl-3-(4-aminosulfonylphenyl) thioureas
A Saeed, M al-Rashida, M Hamayoun… - Journal of enzyme …

Estimation of Ground and Excited State Dipole Moments of aryl Boronic acid Derivative by Solvatochromic Shift Method
GV Muddapur, NR Patil, SS Patil, RM Melavanki… - Journal of …

Design and discovery of novel quinazolinedione-based redox modulators as therapies for pancreatic cancer
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Synthesis and Anticonvulsant Evaluation of some New 6-(Substitutedphenyl) thiazolo [3, 2-b][1, 2, 4] triazole Derivatives in Mice
XQ Deng, MX Song, SB Wang - Iranian Journal of Pharmaceutical …

Synthesis and biological evaluation of N-dehydrodipeptidyl-N, N′-dicyclohexylurea analogs
K Prasad, K Bharathi - European journal of medicinal chemistry

Synthesis, characterization and pharmacological studies of sulphur containing 1, 2, 4-triazole derivatives
DVN Rao, ARG Prasad, YN Spoorthy, DR Rao… - Journal of Taibah …

NOVEL MANNICH BASES OF 4-THIAZOLIDINONE DERIVATIVES AS ANTITUBERCULAR AGENTS
B Thomas, J Harindran - ijrpc.com

Molecular Properties Prediction, Docking Studies, and Antimicrobial Screening of 1, 3, 4-Thiadiazole and s-Triazole Derivatives
A Siwek, T Plech, J Stefańska, P Stączek… - … computer-aided drug …

Effect of cyclodextrin complexation on phenylpropanoids' solubility and antioxidant activity
M Kfoury, D Landy, L Auezova… - Beilstein journal of …

International Journal of Pharmacy
BVS Lokesh, PV Kumar - researchgate.net

CheMarkup Slides and Notes
O Rothenberger, TA Newton - confchem.ccce.divched.org

Organocatalysts of oxidative protein folding inspired by protein disulfide isomerase
JC Lukesh III, KA Andersen, KK Wallin… - Organic & biomolecular …

BMR Bioinformatics & Cheminformatics
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Synthesis, molecular properties and DFT studies of new phosphoramidates as potential urease inhibitors
FM Oliveira, LCA Barbosa, AJ Demuner… - Medicinal Chemistry …

Synthesis, Cytotoxic Activity and 2D-QSAR Study of Some Imidazoquinazoline Derivatives
H Georgey - Molecules

Polyelectrolyte multilayers with perfluorinated phthalocyanine selectively entrapped inside the perfluorinated nanocompartments
M Kopeć, Ł Łapok, A Laschewsky, S Zapotoczny… - Soft matter

Discovery of potent anticancer agent HJC0416, an orally bioavailable small molecule inhibitor of signal transducer and activator of transcription 3 (STAT3)
H Chen, Z Yang, C Ding, A Xiong, C Wild… - European journal of …

Synthesis and antiinflammatory activity of newer pyrazolinylbenzidines and isoxazolinylbenzidines
S Sharma, KK Saxena - Indian journal of pharmaceutical sciences

Biological activity and molecular docking studies of curcumin-related α, β-unsaturated carbonyl-based synthetic compounds as anticancer agents and mushroom …
SNA Bukhari, I Jantan, O Unsal Tan… - Journal of agricultural …

Synthesis and Cytotoxicity evaluation of small 1, 4-triazolic derivatives against B16 melanoma cell lines and a methodolgy study on the synthesis of propargyl ethers …
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Synthesis and evaluation of octocrylene-inspired compounds for UV-filter activity
HC Polonini, RS Lopes, A Beatriz, RS Gomes… - Química …

Insilico study of anti-carcinogenic lysyl oxidase-like 2 inhibitors
SA Muhammad, A Ali, T Ismail, R Zafar, U Ilyas… - … biology and chemistry

EXPLORING THE POSSIBLE MECHANISM OF ALBIZZIA LEBBECK COMPONENTS BINDING WITH DRUG TARGETS OF BRONCHIAL ASTHMA–AN …
M Yim, BP Sarma, S Sinha, H Deka, H Deka, P Parida… - ijpsr.com

Synthesis and pharmacological evaluation of 5-pyrrolidinylquinoxalines as a novel class of peripherally restricted κ-opioid receptor agonists
C Bourgeois, E Werfel, F Galla… - Journal of medicinal …

Antiallergic activity of various kinds of vegetables and fruits in Japan and Thailand
A Sato, V Surojanametakul, T Zhang… - Journal of Science …

Synthesis and evaluation of chalcone derivatives as inhibitors of neutrophils' chemotaxis, phagocytosis and production of reactive oxygen species
SNA Bukhari, Y Tajuddin, VJ Benedict… - Chemical biology & …

Yeast synthetic biology platform generates novel chemical structures as scaffolds for drug discovery
J Klein, JR Heal, WDO Hamilton… - ACS synthetic …

Methylenedioxy flavonoids: assessment of cytotoxic and anti-cancer potential in human leukemia cells
B Orlikova, JC Menezes, S Ji, SP Kamat… - European journal of …

Replacement of amide with bioisosteres led to a new series of potent adenosine A 2A receptor antagonists
Z Yang, X Li, H Ma, J Zheng, X Zhen… - Bioorganic & medicinal …

Screening and identification of neuroprotective compounds relevant to Alzheimer׳ s disease from medicinal plants of S. Tomé e Príncipe
A Currais, C Chiruta, M Goujon-Svrzic, G Costa… - Journal of …

Celecoxib analogs bearing benzofuran moiety as cyclooxygenase-2 inhibitors: design, synthesis and evaluation as potential anti-inflammatory agents
GS Hassan, SM Abou-Seri, G Kamel, MM Ali - European journal of …

BioPhytMol: a drug discovery community resource on anti-mycobacterial phytomolecules and plant extracts
A Sharma, P Dutta, M Sharma… - Journal of …

Synthesis, pharmacological study and docking calculations of new benzo [f] coumarin derivatives as dual inhibitors of enzymatic systems involved in …
MJ Matos, P Janeiro, RM Gonzalez Franco… - Future medicinal …

Design, synthesis, and PASS-assisted evaluation of novel 2-substituted benzimidazole derivatives as potent anthelmintics
K Garg, Y Bansal, G Bansal, RK Goel - Medicinal Chemistry Research

2, 4-Dialkyl-8, 9, 10, 11-tetrahydrobenzo [g] pyrimido [4, 5-c] isoquinoline-1, 3, 7, 12 (2H, 4H)-tetraones as new leads against Mycobacterium tuberculosis
P Claes, D Cappoen, C Uythethofken, J Jacobs… - European journal of …

AlzPlatform: an Alzheimer's disease domain-specific chemogenomics knowledgebase for polypharmacology and target identification research
H Liu, L Wang, M Lv, R Pei, P Li, Z Pei… - Journal of chemical …

Synthesis and Cytotoxicity evaluation of small 1, 4-triazolic derivatives against B16 melanoma cell lines and a methodolgy study on the synthesis of propargyl ethers …
SK Monfared -

Design, synthesis and biological evaluation of (E)-2-(2-arylhydrazinyl) quinoxalines, a promising and potent new class of anticancer agents
FAR Rodrigues, IS Bomfim, BC Cavalcanti… - Bioorganic & medicinal …

Novel tuberculostatic agents suitable for treatment of Mycobacterium tuberculosis infections of the central nervous system
R Bartzatt, P Sule, SLG Cirillo… - British Journal of …

Benzofuran–Morpholinomethyl–Pyrazoline Hybrids as a New Class of Vasorelaxant Agents: Synthesis and Quantitative Structure–Activity Relationship Study
GS Hassan, DE Abdel Rahman, DO Saleh… - Chemical and …

Metabolism of RCS-8, a synthetic cannabinoid with cyclohexyl structure, in human hepatocytes by high-resolution MS
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Computer-assisted design of novel 1, 4-dihydropyridine calcium channel blockers
EG da Mota, DG Silva, MC Guimarães… - Molecular …

Metabolite elucidation of the Hsp90 inhibitor SNX-2112 using ultraperformance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS)
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The design and synthesis of novel N-heterocyclic compounds, and their evaluation of anti-cancer and anti-viral activity
V More -

Drug-likeness approach of 2-aminopyrimidines as histamine H3 receptor ligands
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QSRR modeling of retention behavior of some s-triazine derivatives
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Synthesis And Druglikeness Estimation Of Amide Derivatives Of 1-Benzyltheobromine-8-Thioglycolic Acid
M Georgieva, J Mitkov, A Zlatkov - Scripta Scientifica …

Physiologically based pharmacokinetic modeling of POPs in Greenlanders
C Sonne, K Gustavson, FF Rigét, R Dietz… - Environment …

QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites
J Correa-Basurto, M Bello… - Chemico-biological …

Design, synthesis, acetylcholinesterase inhibition and larvicidal activity of girgensohnine analogs on Aedes aegypti, vector of dengue fever
ALC Otero, LYV Méndez, VV Kouznetsov - European journal of medicinal …

2-Aminothiazole derivatives as antimycobacterial agents: Synthesis, characterization, in vitro and in silico studies
P Makam, T Kannan - European journal of medicinal chemistry

Chemoinformatics approach for the design and screening of focused virtual libraries
M Karthikeyan, R Vyas - Practical Chemoinformatics

EGFRIndb: epidermal growth factor receptor inhibitor database
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Bottom‐Up Molecular Tunneling Junctions Formed by Self‐Assembly
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Novel coumarin–benzimidazole derivatives as antioxidants and safer anti-inflammatory agents
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Synthesis and molecular modeling studies of novel tert-butyl 2, 4-disubstituted carboxamido phenylcarbamate derivatives and evaluation of their antimicrobial …
J Pochampally, A Valeru, BAKD Ramesh Macha… - derpharmachemica.com

Design and development of oxazol-5-ones as potential partial PPAR-γ agonist against cancer cell lines
T Pal, H Joshi, CS Ramaa - Anti-Cancer Agents in Medicinal …

PCCP
VC Wieczor, M Baginski, L Calucci, S Samaritani… - researchgate.net

A development of chimeric VEGFR2 TK inhibitor based on two ligand conformers from PDB: 1Y6A complex–Medicinal chemistry consequences of a TKs analysis
L Lintnerová, M García-Caballero, F Gregáň… - European journal of …

Advances in algal drug research with emphasis on enzyme inhibitors
KRR Rengasamy, MG Kulkarni, WA Stirk… - Biotechnology …

NMR screening of potential inhibitors of methionine γ-lyase from Citrobacter freundii
EA Batuev, AY Lisunov, EA Morozova, VV Klochkov… - Molecular Biology

Design, synthesis, and characterization of novel apigenin analogues that suppress pancreatic stellate cell proliferation in vitro and associated pancreatic fibrosis in …
H Chen, AA Mrazek, X Wang, C Ding, Y Ding… - Bioorganic & medicinal …

New class of methyl tetrazole based hybrid of (Z)-5-benzylidene-2-(piperazin-1-yl) thiazol-4 (% H)-one as potent antitubercular agents
K Chauhan, M Sharma, P Trivedi, V Chaturvedi… - Bioorganic & medicinal …

Design, an efficient ecofriendly synthesis of spirooxindole derivatives and their anticancer activity supported by molecular docking studies
Y Erugu, B Sangepu, K Varre, R Pamanji… - World J. Pharmacy …

Radiolabeled Pyridopyrazinone Derivatives for PET Imaging of Phosphodiesterase-5A (PDE5A)
R Chekol, O Gheysens, M Ahamed… - … of Radiolabeled PET …

Studies on the anticonvulsant activity and influence on GABA-ergic neurotransmission of 1, 2, 4-triazole-3-thione-based compounds
T Plech, B Kaproń, JJ Łuszczki, M Wujec, A Paneth… - Molecules

A spectroscopic investigation and molecular docking study on the interaction of hen egg white lysozyme with liposomes of saturated and unsaturated …
A Das, R Thakur, A Dagar… - Physical Chemistry …

Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound
BC Buer, B Paul, D Das, JA Stuckey… - ACS chemical …

68 Ga based probe for Alzheimer's disease: synthesis and preclinical evaluation of homodimeric chalcone in β-amyloid imaging
K Chauhan, A Datta, A Adhikari, K Chuttani… - Organic & …

Percutaneous absorption of herbicides derived from 2, 4-dichlorophenoxyacid: Structure–activity relationship
D Beydon, JP Payan, E Ferrari, MC Grandclaude - Toxicology in Vitro

Determination and prediction of the lag times of hydrocarbons through a polyethylene terephthalate film
J Ewender, F Welle - Packaging Technology and Science

Cyclotide structure–activity relationships: qualitative and quantitative approaches linking cytotoxic and anthelmintic activity to the clustering of …
S Park, AA Strömstedt, U Göransson - PloS one

Journal of Taibah University Medical Sciences
DVN Rao, ARG Prasad, YN Spoorthy, DR Rao… -

Preliminary screening of biological activities of some new Schiff bases of isatins
G Tataringa, CD Stan, AM Zbancioc, A Jitareanu… - …

SÍNTESIS Y CARACTERIZACIÓN DE UN NUEVO DERIVADO DE LA PODOFILOTOXINA
A Nain-Pérez, JA Abad-Reyes… - Avances en Ciencias …

EFFECT OF COMPUTATIONALLY SYNTHESIZED PROBABLE DRUGS ON BETA TOXIN OF CLOSTRIDIUM PERFRINGENS
G Akshatha, A Sanjali, D Madhuri, HL Priyanka - MSR Journal of Sciences - msrcasc.edu.in

DESIGN, AN EFFICIENT ECOFRIENDLY SYNTHESIS OF SPIROOXINDOLE DERIVATIVES AND THEIR ANTICANCER ACTIVITY SUPPORTED BY …
Y Bomma, VR Janapala, V Srinivasarao, P Tigulla… -

Synthesis and molecular docking study of N-alkyl/aryl-2-aryl indol-3-yl glyoxylamides as novel anticancer agents
NM Jagadeesh, KM Mahadevan… - … of Pharmacy and …

Synthesis, crystal studies, anti-tuberculosis and cytotoxic studies of 1-[(2E)-3-phenylprop-2-enoyl]-1H-benzimidazole derivatives
VKA Kalalbandi, J Seetharamappa, U Katrahalli… - European journal of …

Rational design, synthesis and evaluation of chromone-indole and chromone-pyrazole based conjugates: Identification of a lead for anti-inflammatory drug
A Singh, M Kaur, S Sharma, R Bhatti, P Singh - European journal of …

Synthesis and antiproliferative activity of 8-hydroxyquinoline derivatives containing a 1, 2, 3-triazole moiety
BO Luiza, TF Borgati, RP de Freitas, ALTG Ruiz… - European journal of …

Mass Spectrometry Based Quantification of 1, 3-Butadiene Induced DNA Adducts: Potential Biomarkers of Cancer Risk
D Sangaraju -

Evaluation of PET radioligands for in vivo visualization of phosphodiesterase 5 (PDE5)
R Chekol, O Gheysens, J Cleynhens, P Pokreisz… - Nuclear medicine and …

Newcastle University ePrints
SA Holt, AP Le Brun, ARJ Nelson, JH Lakey - eprint.ncl.ac.uk

Synthesis, characterization and pharmacological evaluation of certain sulfonamide containing heterocyclic motifs
SK Badampudi, RGP Aluru, RR Papammagari… - Polish Annals of …

Novel macrocyclic molecules based on 12a-N substituted 16-membered azalides and azalactams as potential antifungal agents
X Wang, S Zhang, Y Pang, H Yuan, X Liang… - European journal of …

Synthesis, anticancer evaluation and docking study of vadimezan derivatives with carboxyl substitution
SJ Zhang, ZS Ding, FS Jiang, QF Ge, DW Guo… - …

The antihypersensitive and antiinflammatory activities of a benzofuranone derivative in different experimental models in mice: the importance of the protein kinase C …
JP de Souza Nunes, KAB da Silva… - Anesthesia & …

Semisynthesis, ex vivo evaluation, and SAR studies of coumarin derivatives as potential antiasthmatic drugs
A Sánchez-Recillas, G Navarrete-Vázquez… - European journal of …

Дослідження взаємодії солей тіосульфокислот з 2, 3-дихлор-1, 4-нафтохіноном
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Absorption, metabolism and effect of compatibility on absorption of qishenyiqi dropping pill
Y Han, J Wang, Q Cui, L Wang, B Cheng… - Biomedical …

Polyfluorinated bis-styrylbenzenes as amyloid-β plaque binding ligands
RJA Nabuurs, VV Kapoerchan, A Metaxas… - Bioorganic & medicinal …

Design and Synthesis of C3‐Pyrazole/Chalcone‐Linked Beta‐Carboline Hybrids: Antitopoisomerase I, DNA‐Interactive, and Apoptosis‐Inducing Anticancer Agents
A Kamal, V Srinivasulu, VL Nayak, M Sathish… - …

Busca In Silico de Inibidores de Fosfolipase A2 de Apis mellifera com validação In Vitro e In Vivo
DMM Jorge - teses.usp.br

Retention time prediction for dereplication of natural products (CxHyOz) in LC–MS metabolite profiling
PJ Eugster, J Boccard, B Debrus, L Bréant… - Phytochemistry

АНАЛИЗ И ПРОГНОЗИРОВАНИЕ СОРБЦИИ ЛЕКАРСТВЕННЫХ ВЕЩЕСТВ ПЕРФТОРАНОМ НА ОСНОВЕ ФИЗИКО ХИМИЧЕСКИХ СВОЙСТВ …
НН Пшенкина, ГА Софронов - reanimatology.com

Physico-chemical properties of lomefloxacin, levofloxacin and moxifloxacin relevant to Biopharmaceutics Classification System
E Kłosińska-Szmurło, M Grudzień… - Acta Chimica …

Novel quinazoline and pyrido [2, 3-d] pyrimidine derivatives and their hydroselenite salts as antitumoral agents
JA Palop, D Plano, E Moreno, C Sanmartín - ARKIVOC

Synthesis and Antitubercular Screening of [(2‐Chloroquinolin‐3‐yl) methyl] Thiocarbamide Derivatives
S Kumar, N Upmanyu, O Afzal… - Chemical biology & drug …

Ultrasound‐Assisted Synthesis, Anticonvulsant Activity, and Docking Study of Indole‐Appended Thiazolidin‐4‐ones
APG Nikalje, SI Shaikh, A Mulay, FAK Khan… - Archiv der …

Optimizacija Strukturno Odvisnih Parametrov Pri Sklopljeni Masni Spektrometriji Za Izbrane Sintezne Kanabinoide Ter Njihova Modulacija Ionskih Kanalov
I Hari -

Blood Schizontocidal and Gametocytocidal Activity of 3-Hydroxy-N′-arylidenepropanehydrazonamides: A New Class of Antiplasmodial Compounds
M Leven, J Held, S Duffy, S Tschan, S Sax… - Journal of medicinal …

Discovering Echinococcus granulosus thioredoxin glutathione reductase inhibitors through site-specific dynamic combinatorial chemistry
C Saiz, V Castillo, P Fontán, M Bonilla, G Salinas… - Molecular …

Molecular neuroimaging of Alzheimer's disease
RJA Nabuurs -

" Drug Design" et synthèse de nouveaux calix [8] arènes sulfoniques flexibles à activités anticorrosive et anticoagulante
MR Seifeddine -

Promising near-infrared non-targeted probes: benzothiazole heptamethine cyanine dyes
OA Okoh, RH Bisby, CL Lawrence… - Journal of Sulfur …

Interactions of chitosan/genipin hydrogels during drug delivery: a QSPR approach
NL Delgadillo-Armendariz, NA Rangel-Vazquez… - Química …

Nubbe natural products, source of molecular diversity for the design of new anticancer agents
M Valli -

Investigating the interactions of the 18kDa translocator protein and its ligand PK11195 in planar lipid bilayers
CR Hatty, AP Le Brun, V Lake, LA Clifton, GJ Liu… - … et Biophysica Acta (BBA …

Investigation of a Novel Series of 2-Hydroxyisoquinoline-1, 3 (2 H, 4 H)-diones as Human Immunodeficiency Virus Type 1 Integrase Inhibitors
V Suchaud, F Bailly, C Lion, C Calmels… - Journal of medicinal …

A comparative study of the molecular structure, lipophilicity, solubility, acidity, absorption and polar surface area of coumarinic anticoagulants and direct thrombin …
M Remko, R Broer, A Remková - RSC Advances

Synthesis of β-carboline–benzimidazole conjugates using lanthanum nitrate as a catalyst and their biological evaluation
A Kamal, MPN Rao, P Swapna, V Srinivasulu… - Organic & …

Xanthenedione derivatives, new promising antioxidant and acetylcholinesterase inhibitor agents
AML Seca, SB Leal, DCGA Pinto, MC Barreto, A Silva - Molecules

Targeting NAD+ metabolism in the human malaria parasite Plasmodium falciparum
JK O'Hara, LJ Kerwin, SA Cobbold, J Tai, TA Bedell… - PloS one

A physiologically based pharmacokinetic model of alvespimycin in mice and extrapolation to rats and humans
ZY Hu, J Lu, Y Zhao - British journal of pharmacology

Absorbability, Mechanism and Structure-Property Relationship of Three Phenolic Acids from the Flowers of Trollius chinensis
XW Wu, RF Wang, LJ Liu, LN Guo, C Zhao - Molecules

Structure–activity relationships of β-hydroxyphosphonate nucleoside analogues as cytosolic 5′-nucleotidase II potential inhibitors: Synthesis, in vitro evaluation and …
M Meurillon, Z Marton, A Hospital, LP Jordheim… - European journal of …

Predictive in silico off-target profiling in drug discovery
F Schmidt, H Matter, G Hessler… - Future medicinal …

3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents
MA Telpoukhovskaia, C Rodríguez-Rodríguez… - Metallomics

Biomedical Applications of Emulsion Templated Scaffolds
RS Moglia -

Microwave assisted synthesis of naphthopyrans catalysed by silica supported fluoroboric acid as a new class of non purine xanthine oxidase inhibitors
S Sharma, K Sharma, R Ojha, D Kumar, G Singh… - Bioorganic & medicinal …

Lead modification: Amino acid appended indoles as highly effective 5-LOX inhibitors
P Prasher, P Singh - Bioorganic & medicinal chemistry

INSILCO STUDIES ON MEMBRANE RECEPTORS OF TYPE 2 DIABETES MILLETUS
P Tiruveedhula, AP Muttagi, K Paul -

Development of 1, 3 Benzothiazol-2-yl Hydrazine Derivatives Containing Semicarbazone and Thioamide Pharmacophore as Anticonvulsants
R Ali, N Siddiqui - Letters in Drug Design & Discovery

Synthesis and antiproliferative activity of novel methylselenocarbamates
B Romano, M Font, I Encío, JA Palop… - European journal of …

Euphorbia and Momordica metabolites for overcoming multidrug resistance
MJU Ferreira, N Duarte, M Reis, AM Madureira… - Phytochemistry …

Cloud computing infrastructure development for chemoinformatics
M Karthikeyan, R Vyas - Practical Chemoinformatics

Nanoengineered CdSe quantum dot–montmorillonite composites: an efficient photocatalyst under visible light irradiation
RC Chikate, BS Kadu, MA Damle - RSC Advances

A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations
TS Carpenter, DA Kirshner, EY Lau, SE Wong… - Biophysical journal

Molecular Structure and Identification Through G-SIMS and SMILES
FM Green, IS Gilmore, MP Seah - Surface Analysis and Techniques in …

Structure-based virtual screening of novel, high-affinity BRD4 inhibitors
C Muvva, ERA Singam, SS Raman… - Molecular …

Hemi-synthesis of three new armed antibiotics analogs of Calcimycin (A23187) and determination of theirs acidity constants by potentiometric method
M Mimouni, A Melhaoui, I El Mounsi, YN Mabkhot… - jmaterenvironsci.com

Structureeactivity relationships of b-hydroxyphosphonate nucleoside analogues as cytosolic 5 0-nucleotidase II potential inhibitors: Synthesis, in vitro evaluation …
J Béjaud, C Lionne, C Dumontet… - European Journal of …

Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation
Q Zhang, L Lu, W Dai, X Mei - CrystEngComm

Cycloartanes with Anticancer Activity Demonstrate Promising inhibition of the Mrck [alpha] and Mrck [beta] Kinases
HIC Lowe, NJ Toyang, CT Watson… - British Journal of …

Planejamento computacional de compostos anti-HIV-1 com múltiplos alvos
MC Guimarães -

Escherichia coli kduD encodes an oxidoreductase that converts both sugar and steroid substrates
A Tubeleviciute, MG Teese, J Jose - Applied microbiology and …

Development of amino acid conjugated sulfonamides as potent antiulcer agent
SP Sahoo, BB Subudhi - Medicinal Chemistry Research

Design, economical synthesis and antiplasmodial evaluation of vanillin derived allylated chalcones and their marked synergism with artemisinin against chloroquine …
N Sharma, D Mohanakrishnan, UK Sharma… - European journal of …

DESIGN, NOVEL SYNTHESIS AND DOCKINGSTUDIES OF N, N'-SUBSTITUTED UREA ANALOGUES AND EVALUATION OF THEIR ANTIMICROBIAL …
J Pochampally, A Valeru, B Shankar, D Mandala… -

ESTUDO DE CHALCONAS COMO ANTIBACTERIANOS POTENCIAIS: SÍNTESE, AVALIAÇÃO DA AÇÃO ANTIBACTERIANA E DAS PROPRIEDADES FÍSICO- …
PA Mariño - cursos.unipampa.edu.br

Design, synthesis and evaluation of 2-aminothiazole derivatives as sphingosine kinase inhibitors
D Vogt, J Weber, K Ihlefeld, A Brüggerhoff… - Bioorganic & medicinal …

4, 6‐Diaryl/heteroarylpyrimidin‐2 (1H)‐ones as a New Class of Xanthine Oxidase Inhibitors
S Shukla, D Kumar, R Ojha, MK Gupta… - Archiv der …

A fluorescent probe for estimation of adenosine diphosphate and monitoring of glucose metabolism
A Kumar, P Prasher, P Singh - Organic & biomolecular chemistry

Polymersomes as a potential tool in nuclear medicine
G Wang -

Practical Chemoinformatics
M Karthikeyan, R Vyas -

The gating of the bacterial mechanosensitive channel MscS reflects its function as a sensor of both crowding and lateral pressure as well as its role in osmoregulation
ID Rowe -

Multimethodological study of molecular recognition phenomena
C Fortugno -

Design, synthesis and biological evaluation of novel 4-alkapolyenylpyrrolo [1, 2-a] quinoxalines as antileishmanial agents–Part III
L Ronga, M Del Favero, A Cohen, C Soum… - European journal of …

ANTI-EGF/EGFR THERAPEUTIC ANTI-CANCER DRUGS AND THE WOUND HEALING PROCESS
AOFPMBY LENTIVIRAL, MOFES CELL -

Design, Synthesis, and Antimicrobial Evaluation of Hexadentate Hydroxypyridinones with High Iron (III) Affinity
MX Zhang, CF Zhu, YJ Zhou, XL Kong… - Chemical biology & …

Mechanistic insights in glycation-induced protein aggregation
M Adrover, L Mariño, P Sanchis, K Pauwels… - …

Synthesis and evaluation of the cytotoxic activity of 1, 2-furanonaphthoquinones tethered to 1, 2, 3-1H-triazoles in myeloid and lymphoid leukemia cell lines
MFC Cardoso, PC Rodrigues, MEIM Oliveira… - European journal of …

Turning Around the L‐Phe‐D‐Oxd Moiety for a Versatile Low‐Molecular‐Weight Gelator
L Milli, N Castellucci, C Tomasini - European Journal of …

Comparative evaluation of in silico and in vitro pharmacological activity of some 5-nitrosalicylaldehyde-derived hydrazones
B Nikolova-Mladenova, G Momekov, T Gerasimova… - bioscience.scientific-journal.com

Structure and evaluation of antibacterial and antitubercular properties of new basic and heterocyclic 3-formylrifamycin SV derivatives obtained via 'click chemistry' …
K Pyta, K Klich, J Domagalska, P Przybylski - European journal of medicinal …

Synthesis, characterization, and biological evaluation of some novel thiosemicarbazones as possible antibacterial and antioxidant agents
A Karaküçük-İyidoğan, Z Mercan… - … , Sulfur, and Silicon …

Triagem biológica, identificação e planejamento de novos candidatos a agentes anticâncer a partir de produtos naturais e compostos sintéticos
WF Altei - teses.usp.br

Synthesis of bio-based nanocomposites for controlled release of antimicrobial agents in food packaging
ML DeGruson -

Dendrimer space exploration: an assessment of dendrimers/dendritic scaffolding as inhibitors of protein–protein interactions, a potential new area of pharmaceutical …
S Mignani, S El Kazzouli, MM Bousmina, JP Majoral - Chem. Rev

Modelagem Mia-Qsar das atividades biológicas de inibidores de fosfodiesterase tipo-5
JE Antunes -

ToxiPred: A server for prediction of aqueous toxicity of small chemical molecules in T. Pyriformis
NK Mishra, D Singla, S Agarwal… - Journal of …

Analysis of the Structural Diversity, Substitution Patterns, and Frequency of Nitrogen Heterocycles among US FDA Approved Pharmaceuticals: Miniperspective
E Vitaku, DT Smith, JT Njardarson - Journal of medicinal chemistry

Open-Source Tools, Techniques, and Data in Chemoinformatics
M Karthikeyan, R Vyas - Practical Chemoinformatics

Modelo Dinámico para Estimar la Distribución y Persistencia de Microcistina–LR en una Cuenca Urbana
LA Kieffer -

Synthesis, Characterisation of β-indolylketones and the Effect of Lipophilicity on the Antimicrobial Activity
YLN Murthy, P Choppara, YV Prasad… - Current …

A review on principles, theory and practices of 2D-QSAR
K Roy, R Narayan Das - Current drug metabolism

Self-assembly of selected amphiphilic calix [4] arenes and calix [6] arenes in solid state-single crystal x-ray diffraction studies
A Shkurenko -

Vers de nouveaux antalgiques: optimisation de molécules activatrices des canaux potassiques TREK-1
D Vivier -

Studying single-chain polymeric nanoparticle catalyzed oxidation reactions
ERJ Souren - alexandria.tue.nl

Metodologias em educação ambiental formal e não formal para a conservação do sistema sócio-ecológico
MR Freitas -

Effects of Antihistamines on the Function of Human Alpha-7 Nicotinic Acetylcholine Receptors.
SS Khanian -

Syntheses and Antimycobacterial Activities of [(2S, 3R)-2-(Amino)-4-(Arenesulfonamido)-3-Hydroxy-1-Phenylbutane Derivatives
M Moreth, C RB Gomes, M CS Lourenco… - Medicinal …

Synthesis and Anticonvulsant Activity of N-(trans)-3-phenylprop-2-en-1-yl (Cinnamyl) Derivatives of Aminoalkanols
A Gunia-Krzyzak, AM Waszkielewicz… - Letters in Drug …

Structure-Based Drug Design and Synthesis of Anti-infective and Anticancer Agents
N Gummudipundi Dayanandan -

Effect of 2-Methyl furan on sperm head morphology of mouse
R Prabha - International E-Publication - isca.co.in

TOX-10 Hesperetin Attenuates Cisplatin Induced Nephrotoxicity via Modulation of Oxidative Stress and Renal Inflammation in Male Wistar Rats
ER Kasala, V Dahiya, L Narendra… - Indian Journal of …

Novel multifunctional ligands and their application in Alzheimer's disease
MA Telpoukhovskaia -

Poster Papers
A Tejus, AK Sharma, N Dahiya - Indian Journal of Pharmacology

Diblock copolymer stabilized nanoparticles for drug delivery via flash nanoprecipitation
J Han -

ИЗУЧЕНИЕ ФЕНОТИПА ЛИМФОЦИТОВ ПОСЛЕ ИММУНОТЕРАПИИ БОЛЬНЫХ РАКОМ ЖЕЛУДКА И ТОЛСТОГО КИШЕЧНИКА
ЕВ Абакушина, ЮВ Маризина, ГС Неприна… - cyberleninka.ru

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