Molinspiration Publications 2013

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.

Assessment of quantitative structural property relationships for prediction of pharmaceutical sorption during biological wastewater treatment
S Sathyamoorthy, CA Ramsburg - Chemosphere, 2013 - Elsevier

Dissecting the assays to assess microbial tolerance to toxic chemicals in bioprocessing
KA Zingaro, SA Nicolaou, ET Papoutsakis - Trends in biotechnology, 2013 - Elsevier

Design, Synthesis, and In Vitro Antioxidant Activity of 1,3,5-Trisubstituted-2-pyrazolines Derivatives
PC Jagadish, N Soni, A Verma - Journal of Chemistry, 2013 -

Design, synthesis and biological evaluation of N2, N4-disubstituted-1, 1, 3-trioxo-2H, 4H-pyrrolo [1, 2-b][1, 2, 4, 6] thiatriazine derivatives as HIV-1 NNRTIs
W Chen, P Zhan, E De Clercq, C Pannecouque… - Bioorganic & medicinal …, 2013 - Elsevier

Oxadiazolo pyrrolidine carboxamides as enoyl-ACP reductase inhibitors: Design, synthesis and antitubercular activity screening
G Sonia, TK Ravi - Medicinal Chemistry Research, 2013 - Springer

Molecular docking analysis of natural compounds as Human neutrophil elastase (HNE) inhibitors
R Narayanaswamy, LK Wai… - J Chem Pharm …, 2013 -

Design and synthesis of some isoindoline derivatives as analogues of the active anti-inflammatory Indoprofen
F Csende, F Miklós, A Porkoláb - Arkivoc, 2013 -

Synthesis, antibacterial activity and molecular properties prediction of some pyridazin-3-one derivatives
P Budhlakoti, Y Kumar, A Verma, S Alok - International Journal of …, 2013 - Citeseer

Microwave-assisted convenient syntheses of 2-indolizine derivatives from Morita-Baylis-Hillman adducts: new in silico potential ion channel modulators
S Cunha, RG Oliveira… - Journal of the Brazilian …, 2013 - SciELO Brasil

POM theoretical calculations and experimental verification of the antibacterial potential of 5-hydroxy-4-(substituted-amino)-2(5H)-furanones
TB Hadda, T Fergoug, I Warad - Research on Chemical Intermediates, 2013 - Springer

Docking Analysis of Potent Inhibitors of _-Ketoacyl-Acyl Carrier Protein Synthase III as Potential Antimicrobial Agents.
C Buvana, M Sukumar - Asian Journal of Research in …, 2013 -

Novel phytochemical–antibiotic conjugates as multitarget inhibitors of Pseudomononas aeruginosa GyrB/ParE and DHFR
P Jayaraman, KR Sakharkar, CS Lim… - Drug design …, 2013 -

Evolution of toxic properties of Anti Alzheimer's Drugs through Lipinski's rule of five
NK Borra, Y Kuna - Int. J. Pure App. Biosci, 2013 -

Virtual screening using machine learning approach
D Kumar, A Sarvate, S Singh… - … Technologies (ICT), 2013 …, 2013 -

Flavonoid from Carica papaya inhibits NS2B-NS3 protease and prevents Dengue 2 viral assembly
P Senthilvel, P Lavanya, KM Kumar, R Swetha… - …, 2013 -

Synthesis, characterization, bioactivity, and POM analyses of isothiochromeno [3, 4-e][1, 2] oxazines
B Bennani, A Kerbal, BF Baba, M Daoudi… - Medicinal Chemistry …, 2013 - Springer

Predicting of ADMET Properties and Correlation Studies in a Series of Cyclic and Acyclic Urea Derivatives
MJM Takač, V Takač, V Crnek-Kunstelj - 5th World Conference on Drug …, 2013 -

In silico Identification of Potential Xanthine Oxidase Inhibitors for the Treatment of Gout and Cardiovascular Disease
C Buvana, A Sumathy, M Sukumar - Asian Journal of Research in …, 2013 -

Rational design and synthesis of benzimidazole derivatives for the evaluation of biological activity
A Sandala - 2013 -

Criblage Virtuel POM des Acides Boswelliques comme agents antitumoraux et Analogues des Arganines AK de l'Argania spinosa
B Hadda, S Gharby, Z Charrouf, A Al Afeefy… -

Computational evaluation and experimental verification of antibacterial activity of some β-lactams: advantages and limitations
A Jarrahpour, J Sheikh, I El-Mounsi, R Mouhoub… - Medicinal Chemistry …, 2013 - Springer

Mechlorethamine based Drug Structures for Intervention of Central Nervous System Tumors
R Bartzatt - Central Nervous System Agents in Medicinal …, 2013 -

In Silico Optimized Mechlorethamine Based Drug Structures Targeting Brain and Spinal Cord Tumors
R Bartzatt - British Journal of Pharmaceutical Research, 2013 -

S Singh, AK Gupta, A Chattree, A Verma - International Journal of …, 2013 - Citeseer

Comparative modelling and in-silico drug designing
D Kumar, A Sarvate, S Singh… - … Technologies (ICT), 2013 …, 2013 -

Chemotherapy of leishmaniasis. Part XII: design, synthesis and bioevaluation of novel triazole integrated phenyl heteroterpenoids as antileishmanial agents
SN Suryawanshi, A Tiwari, S Kumar… - Bioorganic & medicinal …, 2013 - Elsevier

Synthesis, biopharmaceutical characterization, and antimicrobial study of novel azo dyes of 7-hydroxy-4-methylcoumarin
PS Jogi, J Meshram, J Sheikh, TB Hadda - Medicinal Chemistry Research, 2013 - Springer

In silico QSAR analysis of quercetin reveals its potential as therapeutic drug for Alzheimer's disease
MR Islam, A Zaman, I Jahan, R Chakravorty… - Journal of Young …, 2013 - Elsevier

Quantitative structure-activity relationship analysis of thiazolidineones: potent antidiabetic compounds
VK Vishvakarma, P Singh, M Dubey… - Drug metabolism and …, 2013 -

Identification of 1-[4-Benzyloxyphenyl)-but-3-enyl]-1H-azoles as New Class of Antitubercular and Antimicrobial Agents
N Anand, KKG Ramakrishna, MP Gupt… - ACS medicinal …, 2013 - ACS Publications

Anti-inflammatory mechanism of Qingfei Xiaoyan Wan studied with network pharmacology
BF Cheng, YY Hou, M Jiang, ZY Zhao… - Yao xue xue bao …, 2013 -

Chalcone‐based derivatives as new scaffolds for hA3 adenosine receptor antagonists
S Vazquez‐Rodriguez, MJ Matos… - Journal of Pharmacy …, 2013 - Wiley Online Library

Selective activity of 2, 4-diaryl-1, 2, 3, 4-tetrahydroquinolines on Trypanosoma cruzi epimastigotes and amastigotes expressing β-galactosidase
C Fonseca-Berzal, DRM Arenas… - Bioorganic & medicinal …, 2013 - Elsevier


Augmented multivariate image analysis applied to quantitative structure–activity relationship modeling of the phytotoxicities of benzoxazinone herbicides and related …
MR Freitas, SVBG Matias, RLG Macedo… - Journal of agricultural …, 2013 - ACS Publications

Influence of phenolic compounds on the sensorial perception and volatility of red wine esters in model solution: An insight at the molecular level
B Lorrain, S Tempere, N Iturmendi, V Moine… - Food chemistry, 2013 - Elsevier

Validating therapeutically active phytochemical compounds for anti-ageing by in silico pharmacokinetic approach
V Baskar, C Jayalakshmi, N Pavithra, S Veronica Grite

Computer-aided design of selective Cytochrome P450 inhibitors and docking studies of alkyl resorcinol derivatives
V Srimai, M Ramesh, KS Parameshwar… - Medicinal Chemistry …, 2013 - Springer

najah.eduPOM analyses of antitrypanosomal activity of 2-iminobenzimidazoles: favorable and unfavorable parameters for drugs optimization
TB Hadda, R Mouhoub, R Jawarkar, V Masand… - Medicinal Chemistry …, 2013 - Springer

Computational Approach for Structure Based Drug Design from a Series of Natural Antiviral Compounds for Herpesviridae Family
VK Sohpal, A Dey, A Singh - J Antivir Antiretrovir S, 2013 -

Computational evaluation and experimental in vitro antibacterial, antifungal and antiviral activity of bis-Schiff bases of isatin and its derivatives
A Jarrahpour, J Sheikh, I El Mounsi, H Juneja… - Medicinal Chemistry …, 2013 - Springer

Antimycobacterial drug design: homology modeling and docking studies on Mycobacterium tuberculosis alanine racemase
MP Palthur, SK Chitta - Drug Discovery, 2013 - Citeseer

Lomustine analogous drug structures for intervention of brain and spinal cord tumors: the benefit of in silico substructure search and analysis
R Bartzatt - Chemotherapy research and practice, 2013 -

Detection and Quantitative Analysis for 2-Thiobarbituric Acid Utilizing Uv-Visible Spectrophotometer
R Bartzatt, M Bartlett, N Handler - Am. J. Pharmacol. Sci, 2013 -

A knowledge base for the recovery of natural phenols with different solvents
CM Galanakis, V Goulas, S Tsakona… - … Journal of Food …, 2013 - Taylor & Francis

Natural product research in the Australian marine invertebrate Dicathais orbita
K Benkendorff - Marine drugs, 2013 -

Comparison of fate profiles of PAHs in soil, sediments and mangrove leaves after oil spills by QSAR and QSPR
B Tansel, M Lee, DZ Tansel - Marine pollution bulletin, 2013 - Elsevier

POM as a quick bioinformatic platform to select flavonoids and their metabolites as potential and efficient HIV-1 integrase inhibitors
TB Hadda, T Fergoug, I Warad, V Masand… - Research on Chemical …, 2013 - Springer

Molecular docking studies of Bacoside-A, an active component of Bacopa monniera with DJ1 for Anti-Parkinson's drug design
S Chandrasekar, S Thangarajan, S Loganathan… - Biomirror, 2013 -

Hybrid-drug design targeting Pseudomonas aeruginosa DHPS and DHFR
P Jayaraman, KR Sakharkar, LCS Daniel… - Front. Biosci.(Elite …, 2013 -

Study of Pathogenesis of Alzheimer's disease-an Insilico Approach.
P Thejitha, S Jency - Indian Journal Of Natural Sciences International … -

Synthesis of coumarin–chalcone hybrids and evaluation of their antioxidant and trypanocidal properties
S Vazquez-Rodriguez, R Figueroa-Guíñez… - …, 2013 -

Synthesis and in vitro activity of 1, 2, 4-triazole-ciprofloxacin hybrids against drug-susceptible and drug-resistant bacteria
T Plech, M Wujec, U Kosikowska, A Malm… - European journal of …, 2013 - Elsevier

Virtual screening for oseltamivir-resistant a (H5N1) influenza neuraminidase from traditional Chinese medicine database: a combined molecular docking with …
V Karthick, K Ramanathan - Springerplus, 2013 - Springer

Available online at http://www. jmcdd. com October-November, 2013, Vol. 1, No. 1, pp 1-17
TB Hadda -

Current Cellular Biochemistry

Biomedical Engineering Research Centre, Nanyang Technological University, Singapore, 2 OmicsVista, Singapore, 3 Molecular and Structural Biology …
P Jayaraman, KR Sakharkar, LCS Daniel… - Frontiers in …, 2013 -

Tautomeric origin of dual effects of N1-nicotinoyl-3-(4′-hydroxy-3′-methyl phenyl)-5-[(sub) phenyl]-2-pyrazolines on bacterial and viral strains: POM analyses as …
TB Hadda, MA Ali, V Masand, S Gharby… - Medicinal Chemistry …, 2013 - Springer

Detection and quantitative assay of 2-thiobarbituric acid from inert solid and solubilized samples by spectrometer
R Bartzatt, M Bartlett, N Handler - 2013 -

Invitro free radical scavenging activity and bioavailability of dietary compounds caffeine, caffeic acid and their combination
S Nadanasabapathi, J Rufia… - … food research journal, 2013 -

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… - 7th Croatian Congress of …, 2013 -

Исследование зависимости «химическая структура-антигипоксическое действие» в ряду производных индола и 2-оксиндола, которые содержат …
RB Romero, ALR OR -

In silico Molecular Interaction Studies of Gamma-hemolysin of Staphylococcus aureus vvith Flavonoid Compounds
R Mohan, S Venugopal - Trends in Bioinformatics, 2013 -

Design, synthesis and evaluation of 2-(1, 3-dioxoisoindolin-2-yl)-N-phenylacetamides as inhibitors of reverse transcriptase
A Penta, S Ganguly, S Murugesan -

Virtual screening using the ligand ZINC database for novel lipoxygenase-3 inhibitors
JK Monika, K Singh - Bioinformation, 2013 -

Computational POM and 3D-QSAR evaluation of experimental in vitro HIV-1-Integrase inhibition of amide-containing diketoacids
TB Hadda, J Fathi, I Chafchaouni, V Masand… - Medicinal Chemistry …, 2013 - Springer


Synthesis and in silico drug likeness evaluation of N, 5-disubstituted-1, 3-thiazolidine-2, 4-dione analogues
N Swathi, TDA Kumar, CVS Subrahmanyam… - Journal of Pharmacy …, 2013 - Elsevier

3D QSAR Studies of coumarin derivatives for modifying the pharmachophoric sites using Betti's protocol
KM Khandarkar, M Shanti, M Ahmed… - Universal Journal of …, 2013 -

2-(2-Hydrazinyl)thiazole derivatives: Design, synthesis and in vitro antimycobacterial studies
P Makam, R Kankanala, A Prakash… - European journal of …, 2013 - Elsevier

Breast Cancer Specific Histone Deacetylase Inhibitors and Lead Discovery using Molecular Docking and Descriptor Study
S Sangeetha, S Ranjitha, K Murugan… - Trends in …, 2013 -

Virtual screening of compounds from the patchouli oil of Pogostemon herba for COX-1 inhibition
SJ Raharjo, F Fatchiyah - Bioinformation, 2013 -

Identification of potential ligand molecule and drug docking studies on autoimmune thyroid disease (Human) using chem informatics techniques
S Agalyaa, M Balaji -

Taibi B. Hadda, Hasna Bendaha, Javed Sheikh, Mushtaq Ahmad & Ismail Warad
MC Res -

Design and evaluation of new chemotherapeutics of aloe-emodin (AE) against the deadly cancer disease: an in silico study
C Mulakayala, B Banaganapalli, N Mulakayala… - Journal of chemical …, 2013 - Springer

Nano drug system of shogaol for transdermal delivery enhancement
K Lakshmi Sudha, S Rampriya, V Baskar -

Microwave Assisted Synthesis, Physico-chemical Properties and Antioxidant Activity of α, β-Unsaturated Benzimidazole Derivatives Incorporated with Baritone Moiety.
B Mathew, AJ Suresh… - Asian Journal of …, 2013 -

Design, synthesis and biological evaluation of 3-benzyloxy-linked pyrimidinylphenylamine derivatives as potent HIV-1 NNRTIs
D Rai, W Chen, Y Tian, X Chen, P Zhan… - Bioorganic & medicinal …, 2013 - Elsevier

Design and synthesis of tetrahydrophthalimide derivatives as inhibitors of HIV-1 reverse transcriptase
A Penta, S Ganguly, S Murugesan - Organic and medicinal chemistry …, 2013 - Springer

Structural determinants of tau aggregation inhibitor potency
KN Schafer, K Cisek, CJ Huseby, E Chang… - Journal of Biological …, 2013 - ASBMB

Received: 12 th Jan-2013 Revised: 20 th Jan-2013 Accepted: 21 st Jan-2013 Research article PHYTOCHEMICAL SCREENING AND INSILICO APPROACH …
DJ Rayalu, D Muralidhararao, DS Rao -

程彬峰, 侯媛媛, 姜民, 赵振营, 董林毅, 白钢 - 2013 -

Synthesis, hypoglycemic activity and molecular modeling studies of pyrazole-3-carbohydrazides designed by a CoMFA model
E Hernández-Vázquez, R Aguayo-Ortiz… - European journal of …, 2013 - Elsevier

Research Journal of Pharmaceutical, Biological and Chemical Sciences
R Hanachi, S Belaidi, A Kerassa, S Boughdiri -

Synthesis, crystal structures, and in silico toxicity prediction of thienopyridine phosphoramidates
LF Pedrosa, WP de Macedo, ACR Furtado… - Synthetic …, 2013 - Taylor & Francis

Virtual screening and biological evaluation of piperazine derivatives as human acetylcholinesterase inhibitors
KR Varadaraju, JR Kumar, L Mallesha… - International Journal of …, 2013 -

'In silico'structure based drug designing of a potent inhibitor for purine nucleoside phosphorylase a therapeutic target for schistosomiasis
A Singh, S Singh, M Wahi - International Journal of …, 2013 -

Primena multiple linearne regresije za predviđanje antifungalne aktivnosti nekih derivata benzimidazola na osnovu ADME parametara
N Kalajdžija D… - Acta periodica …, 2013 -

Application of multiple linear regression analysis to predict antifungal activity of some benzimidazole derivatives using ADME parameters
ND Kalajdžija, SO Podunavac-Kuzmanović… - Acta Periodica …, 2013 -

Partition coefficient determination of a series of isoindolines-2-substituted and its correlation with their antiproliferative activity on HeLa cells
CRT Muñoz, TM Percino, EM Jiménez… - Medicinal Chemistry …, 2013 - Springer

Microwave-assisted stereospecific synthesis of novel tetrahydropyran adenine isonucleosides and crystal structures determination
FPL Silva, ML Cirqueira, FT Martins… - Journal of Molecular …, 2013 - Elsevier

Synthesis and anticonvulsant evaluation of 2-(substituted benzylidene/ethylidene)-N-(substituted phenyl) hydrazinecarboxamide analogues
MJ Ahsan, H Khalilullah, S Yasmin, SS Jadav… - Medicinal Chemistry …, 2013 - Springer

Synthesis and evaluation of resveratrol derivatives as new chemical entities for cancer
C Mulakayala, B Babajan, P Madhusudana… - Journal of Molecular …, 2013 - Elsevier

Anti-tuberculosis activity of lipophilic isoniazid derivatives and their interactions with first-line anti-tuberculosis drugs
T Parumasivam, HSN Kumar, P Ibrahim… - Journal of Pharmacy …, 2013 - Elsevier

Why are membrane targets discovered by phenotypic screens and genome sequencing in Mycobacterium tuberculosis?
RC Goldman - Tuberculosis, 2013 - Elsevier

Antibacterial, antifungal and antioxidant activity of some new water-soluble β-diketones
J Sheikh, TB Hadda - Medicinal Chemistry Research, 2013 - Springer

Synthesis and in vitro evaluation of potential anticancer activity of mono-and bis-1, 2, 3-triazole derivatives of bis-alkynes
H Elamari, R Slimi, GG Chabot, L Quentin… - European journal of …, 2013 - Elsevier

Synthesis and antiproliferative activity of C-3 functionalized isobenzofuran-1 (3H)-ones
RR Teixeira, GC Bressan, WL Pereira, JG Ferreira… - Molecules, 2013 -

Molecular p prediction, Docking studies and synthesis of 5-benzimidazole-1-yl-methyl–[1, 3, 4] oxadiazole-2-thiol and their derivatives
A Sandala, R Suthakaran, A Vema… - … of Research and …, 2013 -

Journal of Chemical and Pharmaceutical Research, 2013, 5 (10): 320-326
N Radhakrishnan, S Ashok, V Kavitha… - Journal of Chemical …, 2013 -

Stepwise construction of the complex, multicomponent cellular trait of microbial tolerance to toxic chemicals
KA Zingaro - 2013 -

Synthesis and evaluation of pharmacological properties of some new xanthone derivatives with piperazine moiety
AM Waszkielewicz, A Gunia, N Szkaradek… - Bioorganic & medicinal …, 2013 - Elsevier

Saurav Bhattacharya Nillohit Mitra Ray Mitun Chakraborty Nandan Kumar Jana
NK Jana -

Curcumin Bioconjugates: Studies on Structure-Activity Relationship and Antibacterial Properties against Clinically Isolated Strains
D Rai, G Kumari, A Singh, RK Singh - Medicinal Chemistry, 2013 -

Molecular docking studies of L-cysteine (a non-essential sulfur containing amino acid) as a potent tyrosinase inhibitor
N Radhakrishnan, S Ashok, V Kavitha… - J Appl Cosmetol, 2013 -

Synthesis and evaluation of (Z)-2, 3-diphenylacrylonitrile analogs as anti-cancer and anti-microbial agents
MS Alam, YJ Nam, DU Lee - European journal of medicinal chemistry, 2013 - Elsevier

Ebselen analogues reduce 2-chloroethyl ethyl sulphide toxicity in A-431 cells
MA Pino, M Pietka-Ottlik, B Billack - Archives of Industrial Hygiene …, 2013 -

Design, synthesis and anticoagulant activity of new flexible calix [8] arene sulfonic acids
S Rekkab, M Lahouel, TB Hadda, C Félix… - Comptes Rendus …, 2013 - Elsevier

Evaluation of ACE inhibitors lipophilicity using in silico and chromatographically obtained hydrophobicity parameters
JV Odović, BD Marković, JB Trbojević-Stanković… - Hemijska …, 2013 -

Synthesis and adenosine receptors binding affinities of a series of 3‐arylcoumarins
MJ Matos, V Hogger, A Gaspar… - Journal of Pharmacy …, 2013 - Wiley Online Library

Synthesis and studies of new organic inhibitors of corrosion of iron
SP Shpan'ko, VP Grigor'ev, VA Anisimova… - Protection of Metals and …, 2013 - Springer

Pterostilbene as a potential novel telomerase inhibitor: molecular docking studies and its in vitro evaluation
R Tippani, L Jaya Shankar Prakhya… - Current …, 2013 -

Identification of potential inhibitors of H5N1 influenza A virus neuraminidase by ligand-based virtual screening approach
V Karthick, K Ramanathan, V Shanthi… - Cell biochemistry and …, 2013 - Springer

Design, synthesis and anticonvulsant activity of some new 5, 7-dibromoisatin semicarbazone derivatives
D Kumar, VK Sharma, R Kumar, T Singh, H Singh… - EXCLI …, 2013 -

Designing of Anti Dengue Drug Molecule against Insilico Modeled Target DC-Sign (CD-209)
CN Prashantha, A Patil, S Priya - International Journal of …, 2013 -

Design, Synthesis, and Biological Evaluation of Novel 3, 5‐Disubstituted‐1, 2, 6‐Thiadiazine‐1, 1‐Dione Derivatives as HIV‐1 NNRTI s
Y Tian, D Rai, P Zhan, C Pannecouque… - Chemical biology & …, 2013 - Wiley Online Library

Synthesis in vitro/in vivo evaluation and in silico physicochemical study of prodrug approach for brain targeting of alkylating agent
RK Singh, DN Prasad, TR Bhardwaj - Medicinal Chemistry Research, 2013 - Springer

Synthesis and in vitro anticancer activity of novel thiazacridine derivatives
MG da Rocha Pitta, ÉS Souza, FWA Barros… - Medicinal Chemistry …, 2013 - Springer

Organic Anion Transporter 3 (Oat3) Interacts Selectively with Lipophilic β-Lactam Antibiotics
AT Wolman, MR Gionfriddo, GA Heindel… - Drug Metabolism and …, 2013 - ASPET

Activated Fly Ash Catalyzing the Synthesis of Novel Potent 4-Thiazolidinones of 4-Amino Antipyrine Anils Using CEM Discover Microwave Methodology and Their …
MD Shanti, K Shanti, J Meshram - Phosphorus, Sulfur, and Silicon …, 2013 - Taylor & Francis

Mohamed Jawed Ahsan, Habibullah Khalilullah, Sabina Yasmin, Surender Singh Jadav, James P. Stables &
J Govindasamy - Med Chem Res, 2013 -

Study on the Antimalarial Activity of Actinonin Derivatives by Molecular Modeling
A Merzoug, A Chikhi, A Bensegueni… - Trends in …, 2013 -

Newly synthesized dopamine ester derivatives and assessment of their antioxidant, antimicrobial and hemolytic activities
M Sellami, A Châari, I Aissa, M Bouaziz, Y Gargouri… - Process …, 2013 - Elsevier

A facile method for the synthesis of pyridazino [4, 5-b][1, 4] thiazine-diones via Smiles rearrangement
Y Zhao, Y Bai, Q Zhang, Z Chen, Q Dai, C Ma - Tetrahedron Letters, 2013 - Elsevier

Analozi epselena smanjuju toksičnost 2-kloroetil etilnog sulfida u A-431-stanicama
MA Pino, M Pietka-Ottlik, B Billack - Arhiv za higijenu rada i …, 2013 -

Synthesis reactions and biological activity of funcationalzed Pyrido 12 aPyrimidine 2 Ones
V Sharulatha - 2013 -

Antibiofilm and quorum sensing inhibitory activity of Achyranthes aspera on cariogenic Streptococcus mutans: An in vitro and in silico study
K Murugan, K Sekar, S Sangeetha… - Pharmaceutical …, 2013 - Taylor & Francis

Synthesis, Characterization and Biological Activity of Hydroxamic Acids Derived from Olive Oil Triacylglycerides
M Barbarić, Ž Marinić, D Vikić-Topić, MZ Končić… - 5th BBBB International …, 2013 -

ANN-QSAR model for virtual screening of Androstenedione C-Skeleton containing phytomolecules and analogues for cytotoxic activity against Human Breast cancer …
O Prakash, F Khan, RS Sangwan… - … chemistry & high …, 2013 -

Synthesis and structure-activity relationships of novel amino/nitro substituted 3-arylcoumarins as antibacterial agents
MJ Matos, S Vazquez-Rodriguez, L Santana, E Uriarte… - Molecules, 2013 -

Design, synthesis and evaluation of aminobenzophenone derivatives containing nitrogen mustard moiety as potential central nervous system antitumor agent
RK Singh, DN Prasad, TR Bhardwaj - Medicinal Chemistry Research, 2013 - Springer

A new method for the prediction of diffusion coefficients in poly (ethylene terephthalate)
F Welle - Journal of Applied Polymer Science, 2013 - Wiley Online Library

Rajesh K. Singh, DN Prasad and TR Bhardwaj b
RK Singh - 2013 -

Preliminary structure–activity relationships and biological evaluation of novel antitubercular indolecarboxamide derivatives against drug-susceptible and drug …
OK Onajole, M Pieroni, SK Tipparaju… - Journal of medicinal …, 2013 - ACS Publications

Synthetic analogues of the natural compound cryphonectric acid interfere with photosynthetic machinery through two different mechanisms
RR Teixeira, WL Pereira, DC Tomaz… - Journal of agricultural …, 2013 - ACS Publications

Open source software and web services for designing therapeutic molecules
D Singla, SK Dhanda, JS Chauhan… - Current topics in …, 2013 -

In Vitro and in Silico Evaluation of the Potential for Neuroprotection of RhodioLife, a Rhodiola Rosea Roots Extract
JM Zubeldia, A Hernandez-Santana, MJ del Rio… - Journal of Food Studies, 2013

In silico model of drug permeability across sublingual mucosa
T Goswami, A Kokate, BR Jasti, X Li - Archives of oral biology, 2013 - Elsevier

Molecular drug design, synthesis and pharmacophore site identification of spiroheterocyclic compounds: trypanosoma crusi inhibiting studies
TB Hadda, A Kerbal, B Bennani, G Al Houari… - Medicinal Chemistry …, 2013 - Springer

Reusability study of Novozym® 435 for the enzymatic synthesis of mannosyl myristate in pure ionic liquids
N Galonde, G Richard, M Deleu, K Nott… - … . Agron. Soc. Environ, 2013 -

A synthetic approach to novel carvotacetone and antheminone analogues with anti-tumour activity
S Christou, E Ozturk, RG Pritchard, P Quayle… - Bioorganic & medicinal …, 2013 - Elsevier

Aqueous–membrane partitioning of β-substituted porphyrins encompassing diverse polarity
ARM Soares, Y Thanaiah, M Taniguchi… - New Journal of …, 2013 -

Homology modeling and docking studies of neuraminidase protein of influenza A virus (H1N1) virus with select ligand: a computer aided structure based drug …
S Gupta, V Saxena, B Singh - Int J Pharm Sci Invent, 2013 -

Stabilité fonctionnelle de la Novozyme® 435 au cours de la synthèse enzymatique du myristate de mannosyle en liquide ionique pur
N Galonde, G Richard, M Deleu, K Nott… - … Agronomie, Société et …, 2013 -

Ebselen Reduces the Toxicity of Mechlorethamine in A‐431 Cells via Inhibition of Apoptosis
A Lulla, MA Pino, M Piętka‐Ottlik… - … of biochemical and …, 2013 - Wiley Online Library

How accurate are physical property estimation programs for organosilicon compounds?
R Boethling, W Meylan - Environmental toxicology and …, 2013 - Wiley Online Library

Development of a natural products database from the biodiversity of Brazil
M Valli, RN Dos Santos, LD Figueira… - Journal of natural …, 2013 - ACS Publications

Membrane permeability of trace amines: Evidence for a regulated, activity‐dependent, nonexocytotic, synaptic release
MD Berry, MR Shitut, A Almousa, J Alcorn… - Synapse, 2013 - Wiley Online Library

A la Recherche des Sites Pharmacophores des Saponines extraites d'Argania spinosa: POM, un Moyen Bioinformatique Efficace
B Hadda, Z Charrouf, V Masand -

Regio-and stereoselective synthesis of spirooxindole 1′-nitro pyrrolizidines with five concurrent stereocenters under aqueous medium and their bioprospection using …
CEP Galvis, VV Kouznetsov - Organic & biomolecular chemistry, 2013 -

QSPR prediction of physico-chemical properties for REACH
JC Dearden, P Rotureau, G Fayet - SAR and QSAR in …, 2013 - Taylor & Francis

Synthesis and biological evaluation of novel benzothiazole clubbed fluoroquinolone derivatives
PC Sharma, R Kumar, M Chaudhary… - Journal of enzyme …, 2013 - Taylor & Francis

Применение 3D-графики в изучении общеобразовательных и специальных дисциплин
С Светослав, КС Колегов -

Design, synthesis, and biological evaluation of indenoisoquinoline rexinoids with chemopreventive potential
M Conda-Sheridan, EJ Park, DE Beck… - Journal of medicinal …, 2013 - ACS Publications

Indoleamides are active against drug-resistant Mycobacterium tuberculosis
S Lun, H Guo, OK Onajole, M Pieroni… - Nature …, 2013 -

QSAR studies of sulfamate and sulfamide inhibitors targeting human carbonic anhydrase isozymes I, II, IX and XII
L Tarko, CT Supuran - Bioorganic & medicinal chemistry, 2013 - Elsevier

Molecular Modeling of a Phenyl‐Amidine Class of NMDA Receptor Antagonists and the Rational Design of New Triazolyl‐Amidine Derivatives
PA Abreu, HC Castro… - Chemical biology & …, 2013 - Wiley Online Library

Remarkable antioxidant properties of a series of hydroxy-3-arylcoumarins
MJ Matos, F Pérez-Cruz, S Vazquez-Rodriguez… - Bioorganic & medicinal …, 2013 - Elsevier

Novel 5-fluorouracil derivatives: synthesis and cytotoxic activity of 2-butoxy-4-substituted 5-fluoropyrimidines
J Sun, SJ Zhang, HB Li, W Zhou, WX Hu… - Bulletin of the Korean …, 2013 -

Anti-proliferative and metastatic protease inhibitory activities of protoberberines: An in silico and in vitro approaches
S Kumari, D Kaladhar, KS Solmon, RR Malla… - Process …, 2013 - Elsevier

DrugMint: a webserver for predicting and designing of drug-like molecules
SK Dhanda, D Singla, AK Mondal… - Biology …, 2013 -

Experimental and computational studies on newly synthesized resveratrol derivative: a new method for cancer chemoprevention and therapeutics?
B Banaganapalli, C Mulakayala… - Omics: a journal of …, 2013 -

Flash nanoprecipitation: particle structure and stability
KM Pustulka, AR Wohl, HS Lee, AR Michel… - Molecular …, 2013 - ACS Publications

Computational investigation of pkcβ inhibitors for the treatment of diabetic retinopathy
SV Gogula, C Divakar, C Satyanarayana… - …, 2013 -

Molecular properties prediction, synthesis, and diuretic activity of phenoxy acetic acid bearing pyrazolines
MA Bakht, MS Yar, AA Siddiqui, MM Abdullah… - Medicinal Chemistry …, 2013 - Springer

Synthesis, antimicrobial activity, and molecular modeling of novel 4-(3-(4-benzylpiperazin-1-yl) propoxy)-7-methoxy-3-substituted phenyl-2H-chromen-2-one
D Mandala, A Valeru, J Pochampalli… - Medicinal Chemistry …, 2013 - Springer

Pyrazole-type cannabinoid ligands conjugated with fluoro-deoxy-carbohydrates as potential PET-imaging agents: synthesis and CB1/CB2 receptor affinity evaluation
S Frau, S Dall'Angelo, GL Baillie, RA Ross… - Journal of Fluorine …, 2013 - Elsevier

Betulonic acid–peptide conjugates: synthesis and evaluation of anti-inflammatory activity
AI Govdi, SF Vasilevsky, NV Sokolova… - Mendeleev …, 2013 - Elsevier

Synthesis of some new thioxoquinazolinone derivatives and a study on their anticonvulsant and antimicrobial activities
A Rajasekaran, V Rajamanickam… - Eur Rev Med …, 2013 -

Acute oral toxicity and liver oxidant/antioxidant stress of halogenated benzene, phenol, and diphenyl ether in mice: a comparative and mechanism exploration
J Shi, M Feng, X Zhang, Z Wei, Z Wang - Environmental Science and …, 2013 - Springer

The limited intestinal absorption via paracellular pathway is responsible for the low oral bioavailability of doxorubicin
JE Kim, HJ Cho, JS Kim, CK Shim, SJ Chung… - Xenobiotica, 2013 - Taylor & Francis

International E–Publication

Molecular Docking Study on Evolvulus alsinoides L. Wild Medicinal Plant for Therapeutic Purpose
NB Patel, KC Patel -

JChemPaint viewer and editor applets: Interactive 2D molecular diagrams
S Kuhn, T Helmus, E Willighagen, C Steinbeck -

Preparation and characterization of CK2 inhibitor-loaded cyclodextrin nanoparticles for drug delivery
F Perret, C Marminon, W Zeinyeh, P Nebois… - International journal of …, 2013 - Elsevier

Shankar G. Alegaon, Kallanagouda R. Alagawadi, Sneha M. Pawar, D. Vinod
U Rajput -

Complexation efficiency of cyclodextrins for volatile flavor compounds
A Ciobanu, D Landy, S Fourmentin - Food research international, 2013 - Elsevier

Novel 1, 3-diarylpyrazole acrylamides: synthesis, antiplatelet activity screening, and in silico evaluation studies
SN Baytas, N Inceler, Y Ozkan, S Unlu… - Medicinal Chemistry …, 2013 - Springer

Antibacterial Derivatives of Ciprofloxacin to Inhibit Growth of Necrotizing Fasciitis Associated Penicillin Resistant Escherichia coli
R Bartzatt, SLG Cirillo, JD Cirillo - Journal of …, 2013 -

Synthesis and bioevaluation of novel 4-aminoquinoline-tetrazole derivatives as potent antimalarial agents
S Pandey, P Agarwal, K Srivastava… - European journal of …, 2013 - Elsevier


Conserved water mediated H-bonding dynamics of Ser117 and Thr119 residues in human transthyretin–thyroxin complexation: Inhibitor modeling study through …
A Banerjee, HR Bairagya, BP Mukhopadhyay… - Journal of Molecular …, 2013 - Elsevier

Synthesis and Evaluation of 3,4‐Dihydropyrimidin‐2(1H)‐ones as Sodium Iodide Symporter Inhibitors
P Lacotte, C Puente, Y Ambroise - ChemMedChem, 2013 - Wiley Online Library

Synthesis and biological evaluation of cinnamaldehyde analogues for anti-arthritic activity
CM Vineetha, N Shoukath, YR Prasad - Int. j. adv. in pharm. Boil. and …, 2013 -

Structure based virtual screening for DNA methyl transferase-1 inhibitors.
MS Saddala, P Jyothi, AU Rani - Online Journal of Bioinformatics, 2013 -

'In vitro'and'in silico'screening for Andrographis paniculata quorum sensing mimics: New therapeutic leads for cystic fibrosis Pseudomonas aeruginosa biofilms
K Murugan, S Sangeetha… - Plant …, 2013 -

The comparison between the calculated and HPLC-predicted lipophilicity parameters for selected groups of drugs
J Stasiak, M Koba, L Bober, P Kawczak… - … chemistry & high …, 2013 -

Phenyl hydrazone bearing pyrazole and pyrimidine scaffolds: design and discovery of a novel class of non-nucleoside reverse transcriptase inhibitors (NNRTIs) …
UP Singh, HR Bhat, A Verma, MK Kumawat, R Kaur… - RSC Advances, 2013 -

Anti-leishmanial evaluation of C2-aryl quinolines: mechanistic insight on bioenergetics and sterol biosynthetic pathway of Leishmania braziliensis
D Bompart, J Núñez-Durán, D Rodríguez… - Bioorganic & medicinal …, 2013 - Elsevier

Biological evaluation of bisbenzaldehydes against four Mycobacterium species
D Cappoen, D Forge, F Vercammen, V Mathys… - European journal of …, 2013 - Elsevier

Synthesis and in vitro antibacterial activity of schiff bases of N-substituted isatins as effective scaffolds
G Kumari, RK Singh - Medicinal Chemistry Research, 2013 - Springer

G Tataringa, ANAM ZBANCIOC, A Jitareanu… - …, 2013 -

V Premalatha, P Venkatesan - 2013 -

Virtual Screening: Using Molecular Docking and 3D‐QSAR Analysis of Matrix Metalloproteinase Inhibitors
L Amador‐Falcón, D Rodríguez‐Clavijo… - Journal of the …, 2013 - Wiley Online Library

Octanol-water partition coefficients of highly hydrophobic photodynamic therapy drugs: a computational study
R Estrada-Tejedor, N Sabaté, F Broto, S Nonell - Afinidad, 2013 -

Synthesis and biological evaluation of a new class of 4-aminoquinoline–rhodanine hybrid as potent anti-infective agents
K Chauhan, M Sharma, J Saxena, SV Singh… - European journal of …, 2013 - Elsevier

Phenolic esters of O-desmethylvenlafaxine with improved oral bioavailability and brain uptake
Y Zhang, Y Yang, S Zhao, Z Yang, H Yang, JP Fawcett… - Molecules, 2013 -

Designing and synthesis of novel antimicrobial heterocyclic analogs of fatty acids
A Ahmad, A Ahmad, H Varshney, A Rauf… - European journal of …, 2013 - Elsevier

Combinatorial chemistry: a review
A Rasheed, R Farhat - … Journal of Pharmaceutical Sciences and Research, 2013 - Citeseer

Design, synthesis and evaluation of dialkyl 4-(benzo[d][1,3]dioxol-6-yl)-1,4-dihydro-2,6-dimethyl-1-substituted pyridine-3,5-dicarboxylates as potential anticonvulsants …
G Prasanthi, K Prasad, K Bharathi - European journal of medicinal …, 2013 - Elsevier

Estudo das relações entre estrutura e atividade de parabenos: uma aula prática
JP dos Santos Fernandes, G Savino… - Quim …, 2013 -

Novel (coumarin-3-yl) carbamates as selective MAO-B inhibitors: Synthesis, in vitro and in vivo assays, theoretical evaluation of ADME properties and docking study
MJ Matos, S Vilar, RM Gonzalez-Franco… - European journal of …, 2013 - Elsevier

Synthesis, cytotoxicity, and molecular properties prediction of novel 1, 3-diarylpyrazole derivatives
SN Baytas, N Inceler, A Yılmaz - Medicinal Chemistry Research, 2013 - Springer

Augmentation of GABAergic neurotransmission by novel N-(substituted)-2-[4-(substituted) benzylidene] hydrazinecarbothioamides—A potential anticonvulsant …
L Tripathi, P Kumar - European journal of medicinal chemistry, 2013 - Elsevier

Diaminothiazoles modify Tau phosphorylation and improve the tauopathy in mouse models
X Zhang, I Hermandez, D Rei, W Mair, JK Laha… - Journal of Biological …, 2013 - ASBMB

Synthesis of 3-alkoxycarbonyl-6-alkylsulfanyl-4-[2-(difluoromethoxy) phenyl]-1, 4-dihydropyridines and related derivatives as analogs of cognition enhancer …
A Krauze, Z Andzans, L Krasnova, S Germane… - Chemistry of …, 2013 - Springer

Kinetics and mechanism of Horner–Wadsworth–Emmons reaction of weakly acidic phosphonate in solid–liquid phase-transfer catalysis system
Q Zhao, J Sun, J Li, J He - Catalysis communications, 2013 - Elsevier

New dihydropyridine derivatives: anti-inflammatory, analgesic and docking studies
S Ulloora, S Kumar, R Shabaraya… - Medicinal Chemistry …, 2013 - Springer

Challenges in quantitative analysis of aroma compounds in cheeses with different fat content and maturity level
C Varming, MA Petersen, T Skov, Y Ardö - International Dairy Journal, 2013 - Elsevier

Синтез карбоксиалкілових естерів ароматичних тіосульфокислот та прогнозування їх біологічної активності на основі віртуального скринінгу і drug-like …
СВ Василюк, ГМ Хоміцька, НЯ Монька, ГБ Шиян… - 2013 -

Study of the structure-activity relationships of parabens: a practical class
JPS Fernandes, G Savino, ACG Amarante, MR Sousa… - Química …, 2013 - SciELO Brasil

Multi-conformation dynamic pharmacophore modeling of the peroxisome proliferator-activated receptor γ for the discovery of novel agonists
Y Sohn, C Park, Y Lee, S Kim, S Thangapandian… - Journal of Molecular …, 2013 - Elsevier

Design, synthesis and evaluation of novel 2-piperidinyl quinoline chalcones/amines as potential antidepressant agents
O Afzal, S Bawa, S Kumar, R Kumar… - Letters in Drug …, 2013 -

P Praveena, T Sekar, D Sudarsanam - 2013 -

Ether-bond-containing ionic liquids as supercapacitor electrolytes
AJR Rennie, N Sanchez-Ramirez… - The journal of …, 2013 - ACS Publications

Molecular Modeling and Docking Analysis of Novel Drug like Compounds for NDM-1
A Jagyasi, J Choubey, A Patel, MK Verma -

In vitro and in silico Approaches to the Identification of New Compounds with Antibacterial Profile
CR Rodriguesa, B Lealb, KN de Oliveirac… - Journal of …, 2013 -

Design, synthesis and biological evaluation of trimethine cyanine dyes as fluorescent probes for the detection of tau fibrils in Alzheimer's disease brain and olfactory …
J Gu, UR Anumala, R Heyny‐von Haußen… - …, 2013 - Wiley Online Library

et.(2013) Research of New Molecules Able to Starve the Tumors by Molecular Docking's Method
B Hanane, C Abdelouahab, B Abderrahmane… - Biochem …, 2013 -

LipImage™ 815: novel dye-loaded lipid nanoparticles for long-term and sensitive in vivo near-infrared fluorescence imaging
A Jacquart, M Kéramidas, J Vollaire… - … of biomedical optics, 2013 -

Stable human brain microvascular endothelial cell line retaining its barrier‐specific nature independent of the passage number
Y Sano, Y Kashiwamura, M Abe… - Clinical and …, 2013 - Wiley Online Library

Development of Method for Three-Point Data Estimation and SVR-QSAR Model to Screen Anti Cancer Leads
O Prakash, F Khan - Combinatorial chemistry & high …, 2013 -

High analgesic and anti-inflammatory in vivo activities of six new hybrids NSAIAs tetrahydropyran derivatives
SL Capim, GM Gonçalves, GCM dos Santos… - Bioorganic & medicinal …, 2013 - Elsevier

International Journal of Pharmacy

Nitrofurazone and its nitroheterocyclic analogues: a study of the electrochemical behavior in aqueous medium
CL Brito, GHG Trossini, EI Ferreira… - Journal of the Brazilian …, 2013 - SciELO Brasil

Exploring nature profits: Development of novel and potent lipophilic antioxidants based on galloyl–cinnamic hybrids
J Teixeira, T Silva, S Benfeito, A Gaspar… - European journal of …, 2013 - Elsevier

Synthesis, structure, and estrogenic activity of 2-and 3-substituted 2, 3-dihydro-4H-1-benzopyran-4-ones
Y Jacquot, C Byrne, A Xicluna, G Leclercq - Medicinal chemistry research, 2013 - Springer

Synthesis of ester and amide derivatives of 1-phenyl-3-(thiophen-3-yl)-1H-pyrazole-4-carboxylic acid and study of their anticancer activity
N Inceler, A Yılmaz, SN Baytas - Medicinal Chemistry Research, 2013 - Springer

Modeling the effect of experimental variables on the in vitro permeation of six model compounds across porcine skin
D Karadzovska, JD Brooks, JE Riviere - International journal of …, 2013 - Elsevier

The gating charge pathway of an epilepsy-associated potassium channel accommodates chemical ligands
P Li, Z Chen, H Xu, H Sun, H Li, H Liu, H Yang, Z Gao… - Cell research, 2013 -

Synthesis, physico-chemical properties, and antimicrobial evaluation of a new series of iron (III) hexadentate chelators
YY Xie, MS Liu, PP Hu, XL Kong, DH Qiu, JL Xu… - Medicinal Chemistry …, 2013 - Springer

清肺消炎丸抗炎, 平喘活性物质筛选及其作用机制研究
程彬峰 - 2013 - 万方数据资源系统

Small molecule inhibitor of lipoteichoic acid synthesis is an antibiotic for Gram-positive bacteria
SG Richter, D Elli, HK Kim… - Proceedings of the …, 2013 - National Acad Sciences

Retention of aroma compounds from Mentha piperita essential oil by cyclodextrins and crosslinked cyclodextrin polymers
A Ciobanu, I Mallard, D Landy, G Brabie, D Nistor… - Food chemistry, 2013 - Elsevier

Binding of aquo-ethylenediaminetetraacetatoruthenium (III) to apo-transferrin. Fluorescence, antiproliferative and in silico studies
D Chatterjee, S Mukhopadhyay - Inorganica Chimica Acta, 2013 - Elsevier

Computational screening for new inhibitors of M. tuberculosis mycolyltransferases antigen 85 group of proteins as potential drug targets
S Gahoi, RS Mandal, N Ivanisenko… - Journal of …, 2013 - Taylor & Francis

M Pitucha, J Matysiak, B Polak… - Journal of Liquid …, 2013 - Taylor & Francis

Discovery of olmesartan hexetil: a new potential prodrug of olmesartan
MI El-Gamal, HS Anbar, HJ Chung, HI Kim… - Bioorganic & medicinal …, 2013 - Elsevier

Facile and Rapid Green Route for the Synthesis of Privileged Peptidotriazoles Based on Oxazolonic Acids by Click Fragment Assembly
B Balan, D Bahulayan - Bulletin of the Chemical Society of Japan, 2013 -

Mutagenesis and modeling to predict structural and functional characteristics of the Staphylococcus aureus MepA multidrug efflux pump
BD Schindler, D Patel, SM Seo… - Journal of bacteriology, 2013 - Am Soc Microbiol

Research Article The Determination of Partition Coefficient of 6-Mercaptopurine Derivatives by Thin Layer Chromatography
A Czyrski, B Kupczyk - 2013 -

JSME: a free molecule editor in JavaScript
B Bienfait, P Ertl - Journal of cheminformatics, 2013 -

Antitumor and antileishmanial evaluation of novel heterocycles derived from quinazoline scaffold: a molecular modeling approach
DH Fleita, RM Mohareb, OK Sakka - Medicinal Chemistry Research, 2013 - Springer

Synthesis and biological evaluation of novel acylhydrazone derivatives as potential antitumor agents
C Congiu, V Onnis - Bioorganic & medicinal chemistry, 2013 - Elsevier

In situ study of the impact of acidic and neutral deposition pH on alkane phosphate film formation and stability on TiO 2
SA Holt, AP Le Brun, ARJ Nelson, JH Lakey - RSC Advances, 2013 -

Synthesis and biological activity of new resveratrol derivative and molecular docking: dynamics studies on NFkB
B Banaganapalli, C Mulakayala, D Gowsia… - Applied biochemistry …, 2013 - Springer

ML311: A Small Molecule that Potently and Selectively Disrupts the Protein-Protein Interaction of Mcl-1 and Bim: A Probe for Studying Lymphoid …
T Bannister, M Koenig, Y He, J Mishra, T Spicer… - 2013 -

New Bis-thiazolium Analogues as Potential Antimalarial Agents: Design, Synthesis, and Biological Evaluation
SA Caldarelli, S El Fangour, S Wein… - Journal of medicinal …, 2013 - ACS Publications

Developmental toxicity prediction
R Venkatapathy, NCY Wang - Computational toxicology, 2013 - Springer

Support related differential impact of substituents on performance of (alkoxy-phenyl) benzamides in normal phase TLC
G Oros, T Cserháti - Journal of Liquid Chromatography & Related …, 2013 - Taylor & Francis

and Evaluation of Novel 2-piperidinyl Quinoline
O Afzal, R Kumaru, MQ Hassan -

Template-Based de Novo Design for Type II Kinase Inhibitors and Its Extended Application to Acetylcholinesterase Inhibitors
BH Su, YS Huang, CY Chang, YS Tu, YJ Tseng - Molecules, 2013 -

On the possibility of theoretical prediction of benzanthrone dye lipophilicity
OA Zhytniakivska, GP Gorbenko, EM Kirilova… - Біофізичний …, 2013 -

Search for molecular basis of antifungal activity of thiosemicarbazide derivatives: A combined in vitro antifungal and enzymatic studies with in silico docking
A Siwek, P Staczek, A Strzelczyk… - Letters in Drug Design …, 2013 -

Characterisation and semi-mechanistic modelling of eflornithine pharmacokinetics and evalutation of prodrugs in oral treatment against late-stage human …
C Johansson - 2013 -

Literature Review of Nitrification and Cometabolic Biodegradation
O NOB, AE NOB - … of Sorption and Nitrification Processes on …, 2013 -

Synthesis and electrochemical and biological studies of novel coumarin–chalcone hybrid compounds
F Pérez-Cruz, S Vazquez-Rodriguez… - Journal of medicinal …, 2013 - ACS Publications

Design, synthesis and biological evaluation of peptide derivatives of L-dopa as anti-parkinsonian agents
T Zhou, RC Hider, P Jenner, B Campbell… - Bioorganic & medicinal …, 2013 - Elsevier

Epigenetic regulation of PGC1 in human type 2 diabetes
YD Yesudhas - Journal of Biophysics and Structural Biology, 2013 -

Micellar chromatographic partition coefficients and their application in predicting skin permeability
Y Shahzad - 2013 -

Targeting Tau Aggregation for the Diagnosis and Treatment of Alzheimer's Disease
ND Schafer - 2013 -

A síntese via Adutos de Morita Baylis Hillman dos derivados 2-Indolizina em micro-ondas: novos potenciais moduladores de canais iônicos
SMD Cunha - 2013 -

Biomolecular screening for inhibitors of butyrylcholinesterase: identification and characterization using in vitro and in silico tools
D Karlsson - 2013 -

A Copper‐Catalyzed Multicomponent Reaction and 'Click Strategy' for the Stereoselective Synthesis of a New Series of Oxazolone Peptidomimetics with α‐Acylamino Amide …
B Balan, D Bahulayan - Helvetica Chimica Acta, 2013 - Wiley Online Library

A Katarzyna - 2013 -

Antiprion compounds that reduce PrPSc levels in dividing and stationary-phase cells
BM Silber, JR Gever, Z Li, A Gallardo-Godoy… - Bioorganic & medicinal …, 2013 - Elsevier

Gelation chemistries for the encapsulation of nanoparticles in composite gel microparticles for lung imaging and drug delivery
NM Pinkerton, SW Zhang, RL Youngblood… - …, 2013 - ACS Publications

Toxicity of daphnane-type diterpenoids from Genkwa Flos and their pharmacokinetic profile in rat
YY Chen, JM Guo, YF Qian, S Guo, CH Ma, JA Duan - Phytomedicine, 2013 - Elsevier

Novel Small Molecules Disabling the IL-6/IL-6R/GP130 Heterohexamer Complex
C Li, J Fuchs, J Lin - 2013 -

Antibacterial Activity and Structure-Activity Relationship Studies of 4-aryl/alkyl-1-(diphenylacetyl) thiosemicarbazides
E Kusmierz, A Siwek, U Kosikowska… - Letters in Drug …, 2013 -

New selective carbonic anhydrase IX inhibitors: synthesis and pharmacological evaluation of diarylpyrazole-benzenesulfonamides
T Rogez-Florent, S Meignan, C Foulon, P Six… - Bioorganic & medicinal …, 2013 - Elsevier

Synthesis, antimicrobial and cytotoxic activity of novel 4-phenoxy and 4-(substitutedamino) pyrazolo [3, 4-d] pyrimidine derivatives
MKA El Hameid, HB El-Nassan, KO Ahmed - 2013 -

3D-QSAR studies of 1,2-diaryl-1H-benzimidazole derivatives as JNK3 inhibitors with protective effects in neuronal cells
M Kim, JS Ryu, JM Hah - Bioorganic & medicinal chemistry letters, 2013 - Elsevier


Prediction of Polyketide Product from Module Organization of Enzymes Using Cumulative Tanimoto Fragment Scores
JAA Mendoza - 2013 -

E-Learning Based Chemical Information Extracting Tool (eChem)
L Ratnayaka, PSU De Silva, HNM Wijesiri… - 2013 -

Determination of the equilibrium solubility of rhaponticin and oil-water apparent partition coefficients using HPLC-fluorometric method.
SHI Xiao-yu, Z Guang-bin, WEI Sai-li… - Journal of Xi'an …, 2013 -

Multicompartmental pharmacokinetic model of tenofovir delivery by a vaginal gel
Y Gao, DF Katz - PloS one, 2013 -

Computational evaluation of some indenopyrazole derivatives as anticancer compounds; application of QSAR and docking methodologies
M Shahlaei, A Fassihi, L Saghaie, E Arkan… - Journal of enzyme …, 2013 - Taylor & Francis

Transport przeznaskórkowy aktywnych składników kosmetycznych
M Malinowska, E Sikora, J Ogonowski - Wiadomości chemiczne, 2013 -

Investigations of the Natural Product Antibiotic Thiostrepton from Streptomyces azureus and Associated Mechanisms of Resistance
CL Myers - 2013 -

Magdalena Malinowska, Elżbieta Sikora*, Jan Ogonowski

Journal of Computational Methods in Molecular Design, 2013, 3 (2): 10-25
OK Sakkaa, DH Fleitaa… - … Methods in Molecular …, 2013 -

N-Octanoyl dopamine inhibits the expression of a subset of κB regulated genes: potential role of p65 Ser276 phosphorylation
MC Hottenrott, J Wedel, S Gaertner, E Stamellou… - PloS one, 2013 -

N-Alkylated 2, 3, 3-trimethylindolenines and 2-methylbenzothiazoles. Potential lead compounds in the fight against Saccharomyces cerevisiae infections
AR Tyler, AO Okoh, CL Lawrence, VC Jones… - European journal of …, 2013 - Elsevier

Interactive design of generic chemical patterns
KT Schomburg, L Wetzer, M Rarey - Drug discovery today, 2013 - Elsevier

Autodisplay of nitrilase from Klebsiella pneumoniae and whole-cell degradation of oxynil herbicides and related compounds
C Detzel, R Maas, A Tubeleviciute, J Jose - Applied microbiology and …, 2013 - Springer

Salt-induced hydrogels from functionalised-dipeptides
L Chen, TO McDonald, DJ Adams - RSC Advances, 2013 -

A novel mechanism for fine-tuning open-state stability in a voltage-gated potassium channel
SA Pless, AP Niciforovic, JD Galpin, JJ Nunez… - Nature …, 2013 -

CH5M3D: an HTML5 program for creating 3D molecular structures
CW Earley - Journal of cheminformatics, 2013 -

Synthesis, evaluation and absolute configuration assignment of novel dihydropyrimidin-2-ones as picomolar sodium iodide symporter inhibitors
P Lacotte, DA Buisson, Y Ambroise - European journal of medicinal …, 2013 - Elsevier

N-Fenilmaleimidas: atividade antibacteriana e moduladora da resistência a drogas em Staphylococcus aureus
NHPB Borges - 2013 -

Designing of inhibitors against drug tolerant Mycobacterium tuberculosis (H37Rv)
D Singla, R Tewari, A Kumar, GPS Raghava… - Chemistry Central …, 2013 - Springer

Three-dimensional structure database of natural metabolites (3DMET): a novel database of curated 3D structures
MH Maeda, K Kondo - Journal of chemical information and …, 2013 - ACS Publications

Design and Synthesis of N1, N5-bis [4-(5-Alkyl-1, 2, 4-oxadiazol-3-yl) phenyl] glutaramides as Potential Antifungal Prodrugs
NR Kode, JJ Vanden Eynde, A Mayence, G Wang… - Molecules, 2013 -

The Physiological and Behavioural Adjustments of the Zebrafish'Danio rerio'Exposed to the β-blocker Propranolol
K Mitchell - 2013 -

New RGD-peptide amphiphile mixtures containing a negatively charged diluent
V Castelletto, RM Gouveia, CJ Connon… - Faraday …, 2013 -

An in vitro and in silico activity analysis of the natural bioactive compounds of selected species of garcinia of Assam against potential biological targets related …
T Chowdhury - 2013 -

Synthesis and biological evaluation of novel tamoxifen analogues
MS Christodoulou, N Fokialakis, D Passarella… - Bioorganic & medicinal …, 2013 - Elsevier

Fragment informatics and computational fragment‐based drug design: an overview and update
C Sheng, W Zhang - Medicinal research reviews, 2013 - Wiley Online Library

Synthesis, characterization, and antibacterial activity of cobalt (II) and zinc (II) complexes with Schiff bases
JN Li - Synthesis and Reactivity in Inorganic, Metal-Organic …, 2013 - Taylor & Francis

Verwachtingen van applets in het scheikunde onderwijs: Leerlingen, Docenten en Ontwerpers
SM Orsel, RA Pleijsier - 2013 -

In silico ADMET prediction: recent advances, current challenges and future trends
F Cheng, W Li, G Liu, Y Tang - Current topics in medicinal …, 2013 -

Synthesis and biological evaluation of novel substituted pyrrolo[1,2-a]quinoxaline derivatives as inhibitors of the human protein kinase CK2
J Guillon, M Le Borgne, C Rimbault, S Moreau… - European journal of …, 2013 - Elsevier

NA RAYAN - 2013 -

Estudos da interação da enzima InhA (EC 1.3. 1.9) de Mycobacterium tuberculosis H37Rv com análogos do inibidor IQG607
EML Cohen - 2013 -

Justificante de presentación electrónica de solicitud de patente
FA Streptococcus -

Synthesis, Characterization, and Antibacterial Activity of [Cu2(L1)3(NCS)]·CH3CN and [Cu2Br2(L2)21,1-N3)2]
JN Li - Synthesis and Reactivity in Inorganic, Metal-Organic …, 2013 - Taylor & Francis

Design, Synthesis, Antioxidant, and Anti‐Breast Cancer Activities of Novel Diethyl (alkyl/aryl/heteroarylamino)(4‐(pyridin‐2‐yl) phenyl) methylphosphonates
SS Prasad, KS Kumar, SH Jayaprakash… - Archiv der …, 2013 - Wiley Online Library

Hypnotic Profile of Imines from Benzimidazole Chalcones: Mechanism of Synthesis, DFT Studies and in silico Screening
B Mathew, J Suresh, S Anbazhagan… - … System Agents in …, 2013 -

Design and Synthesis of Hydroxypyridinone-l-phenylalanine Conjugates as Potential Tyrosinase Inhibitors
DF Li, PP Hu, MS Liu, XL Kong, JC Zhang… - Journal of agricultural …, 2013 - ACS Publications

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… - Chemical …, 2013 - ACS Publications

Targeting cellular redox modulations for pancreatic cancer treatment
D Pathania - 2013 -

Synthesis of perspicamide A and related diverse analogues: their bioevaluation as potent antileishmanial agents
AK Pandey, R Sharma, R Shivahare… - The Journal of …, 2013 - ACS Publications

What Cause an Enzyme to degrade during biocatalysis?
P Morris - 2013 -

Coordination chemistry of a bis (3-hydroxypyran-4-one) with iron and copper
J Zhu, DF Li, XL Kong, RC Hider… - Journal of Coordination …, 2013 - Taylor & Francis

Desenvolvimento de uma metodologia semi-automatizada para busca denovas drogas utilizando Leishmania amazonensisfluorescente
MN Rocha - 2013 -

Progetto Minerva: La Piattaforma di E-Learning dell''Area della Ricerca RM 1.
G Righini, L Ianniello, G Nantista, A Lora… - Smart eLab, 2013 -

Solid-Phase Organic Synthesis: Bicyclic Peptides and Purine-Derived Small Molecules
T Karskela - 2013 -

Engineering lipases and solvents for trans/-esterification of used vegetable oils
MD Gagnon - 2013 -

Comparing the performance of computational estimation methods for physicochemical properties of dimethylsiloxanes and selected siloxanols
AM Buser, S Schenker, M Scheringer… - Journal of Chemical & …, 2013 - ACS Publications

Coassembly in binary mixtures of peptide amphiphiles containing oppositely charged residues
IW Hamley, A Dehsorkhi, V Castelletto - Langmuir, 2013 - ACS Publications

First metabolic profile of XLR-11, a novel synthetic cannabinoid, obtained by using human hepatocytes and high-resolution mass spectrometry
A Wohlfarth, S Pang, M Zhu, AS Gandhi… - Clinical …, 2013 -

Modelagem de propriedades estruturais e eletrônicas para a otimização da Biodisponibilidade de n-piridilporfirinas atuando como moduladores redox
RF Oliveira - 2013 -

The Production and Characterization of a Multi-functional Fiber-based Composite for use in Protective Clothing
J Green - 2013 -

Αξιολόγηση αναστολέων της φωσφορυλάσης του γλυκογόνου ως εν δυνάμει φάρμακα με υπολογιστικές μεθόδους
Ν Νικολεουσάκος - 2013 -

Síntese de novos compostos híbridos com actividade antimalárica
JRP Magalhães - 2013 -

Síntese de derivados sulfonamídicos benzilidenotiazolidinodionas e avaliação da atividade antibacteriana e citotóxica
EC Kormann - 2013 -

E Wrobel -

Adverse Outcome Pathways: A framework for Identifying Chemical Mode of Action During Zebrafish Embryogenesis
K Yozzo - 2013 -

Stanovení albendazolu a jeho metabolitů pro studium rezistence helmintů vůči benzimidazolovým anthelmintikům
M Belešová - 2013 -

Estudo químico e busca de substâncias bioativas de Garcinia brasiliensis
PS Arwa - 2013 -

Targeting botulinum A cellular toxicity: a prodrug approach
P Šilhár, LM Eubanks, H Seki, S Pellett… - Journal of medicinal …, 2013 - ACS Publications

Executive Secretary,~ I); RA SAP
S Matten, DF Official, FSAP Staff -

SUBJECT: Transmittal ofthe Meeting Minutes ofthe FIFRA SAP Meeting Held January 29-31, 2013 on the Scientific Issues Associated with" Prioritizing the …
DF Official, FSAP Staff -

Oligomerization dependent enzyme kinetics and mechanistic characterization of type I protein arginine N-methyltransferases
D Thomas - 2013 -

Identification of counterfeit medicines for erectile dysfunction by validated RP-HPLC method
Z Poposka, S Memeti, M Shishovska, Z Mustafa… - 2013 -

HPLC Analysis of nine corticosteroids in “natural creams” for atopic eczema
A Ameti, Z Poposka, S Memeti, M Shishovska… - 2013 -

Determination of tirofiban in serum using liquid chromatography with UV detection
M Darkovska-Serafimovska, Z Arsova-Sarafinovska… - 2013 -

Bioavailability of hop-derived bitter acids: key factors for the health-beneficial properties of beer
K Cattoor - 2013 -

Faculté de Pharmacie

Synthèse éco-compatible de flavonoïdes fonctionnalisés par le glucose comme antioxydants potentiels
F Pessel - 2013 -

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