Molinspiration Publications 2012

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.

In silico modeling of ligand molecule for non structural 3 (NS3) protein target of flaviviruses
Agnihotri, S. and Narula, R. and Joshi, K. and Rana, S. and Singh, M.
Bioinformation 123 (2012)

1, 4--Diarylpiperazines and analogs as anti-tubercular agents: Synthesis and biological evaluation
Forge, D. and Cappoen, D. and Laurent, J. and Stanicki, D. and Mayence, A. and Huang, TL and Verschaeve, L. and Huygen, K. and Vanden Eynde, JJ
European Journal of Medicinal Chemistry (2012)

Effect of surface preparation and R-group size on the stabilization of lithium metal anodes with silanes
Neuhold, S. and Schroeder, D.J. and Vaughey, J.T.
Journal of Power Sources (2012)

Molecular Docking and in vitro Antileishmanial Evaluation of Chromene-2-thione Analogues
Verma, R.K. and Prajapati, V.K. and Verma, G.K. and Chakraborti, D. and Sundar, S. and Rai, M. and Dubey, V.K. and Singh, M.S.
ACS Medicinal Chemistry Letters (2012)

Novel 5-substituted 1< i> H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors
Al-Hourani, B.J. and Sharma, S.K. and Suresh, M. and Wuest, F.
Bioorganic & Medicinal Chemistry Letters (2012)

Synthesis, Structure and Biological Evaluation of Novel Bicyclic Nitroimidazole Derivatives
Zaprutko, L. and Zwawiak, J. and Augustynowicz-Kopec, E. and Zwolska, Z. and Bartoszak-Adamska, E. and Nowicki, W.
Archiv der Pharmazie (2012)

Selectivity requirements for diagnostic imaging of neurofibrillary lesions in Alzheimer's disease: A simulation study
Schafer, K.N. and Kim, S. and Matzavinos, A. and Kuret, J.
NeuroImage (2012)

Novel structurally related compounds reactivate latent HIV-1 in a bcl-2-transduced primary CD4+ T cell model without inducing global T cell activation
Xing, S. and Bhat, S. and Shroff, N.S. and Zhang, H. and Lopez, J.A. and Margolick, J.B. and Liu, J.O. and Siliciano, R.F.
Journal of Antimicrobial Chemotherapy 398-403 (2012)

Novel imidazo [2, 1-< i> b][1, 3, 4] thiadiazole carrying rhodanine-3-acetic acid as potential antitubercular agents
Alegaon, S.G. and Alagawadi, K.R. and Sonkusare, P.V. and Chaudhary, S.M. and Dadwe, D.H. and Shah, A.S.
Bioorganic & Medicinal Chemistry Letters (2012)

Exploring MIA-QSARs for farnesyltransferase inhibitory effect of antimalarial compounds refined by docking simulations
Deeb, O. and Alfalah, S. and Freitas, M.P. and da Cunha, E.F.F. and Ramalho, T.C.
Journal of Biophysical Chemistry 58-71 (2012)

Anion Effects on Solid Polymer Electrolytes Containing Sulfur Based Ionic Liquid for Lithium Batteries
Fisher, A.S. and Khalid, M.B. and Widstrom, M. and Kofinas, P.
Journal of The Electrochemical Society A592 (2012)

Working with Small Molecules: Rules-of-Thumb of" Drug Likeness".
Zhang, M.Q. and others
Methods in molecular biology (Clifton, NJ) 297 (2012)

pH sensitive silica nanotubes as rationally designed vehicles for NSAIDs delivery
Sousa, C.T. and Nunes, C. and Proenca, M.P. and Leitao, D.C. and Lima, J.L.F.C. and Reis, S. and Araujo, J.P. and Lucio, M.
Colloids and Surfaces B: Biointerfaces (2012)

An isoniazid analogue promotes nanoparticle-Mycobacterium tuberculosis interactions and enhances bacterial killing by macrophages
de Faria, T.J. and Roman, M. and de Souza, N.M. and De Vecchi, R. and de Assis, J.V. and dos Santos, A.L.G. and Bechtold, I.H. and Winter, N. and Soares, M.J. and Silva, L.P. and others
Antimicrobial Agents and Chemotherapy (2012)

Quantitative structure-activity relationships of monoterpenoid binding activities to house fly GABA receptor
Tong, F. and Coats, J.R.
Pest Management Science (2012)

Determination of lipophilicity for antitumor acridinone derivatives supported by gradient high-performance liquid chromatography method
Koba, M. and Belka, M. and Ciesielski, T. and Baczek, T.
Central European Journal of Chemistry 216-223 (2012)

QSAR studies for prediction of cross-beta sheet aggregate binding affinity and selectivity
Cisek, K. and Kuret, J.
Bioorganic & Medicinal Chemistry (2012)

Inclusion Complex of Novel Curcumin Analogue CDF and beta-Cyclodextrin (1: 2) and Its Enhanced In Vivo Anticancer Activity Against Pancreatic Cancer
Dandawate, P.R. and Vyas, A. and Ahmad, A. and Banerjee, S. and Deshpande, J. and Swamy, K.V. and Jamadar, A. and Dumhe-Klaire, A.C. and Padhye, S. and Sarkar, F.H.
Pharmaceutical Research 1-12 (2012)

Hot spots and transient pockets: Predicting the determinants of small-molecule binding to a protein-protein interface
Metz, A. and Pfleger, C. and Kopitz, H. and Pfeiffer-Marek, S. and Baringhaus, K.H. and Gohlke, H.
Journal of Chemical Information and Modeling (2012)

In vitro anti-mycobacterial activity of (E)-N'-(monosubstituted-benzylidene) isonicotinohydrazide derivatives against isoniazid-resistant strains
Coelho, T.S. and Cantos, J.B. and Bispo, M.L.F. and Goncalves, R.S.B. and Lima, C.H.S. and da Silva, P.E.A. and De Souza, M.
Infectious Disease Reports e13 (2012)

Indeno [1, 2-< i> b] indole derivatives as a novel class of potent human protein kinase CK2 inhibitors
Hundsdorfer, C. and Hemmerling, H.J. and Gotz, C. and Totzke, F. and Bednarski, P. and Le Borgne, M. and Jose, J.
Bioorganic & Medicinal Chemistry (2012)

Chemical and biological evaluation of some new antipyrine derivatives with particular properties
Remes, C. and Paun, A. and Zarafu, I. and Tudose, M. and Caproiu, MT and Ionita, G. and Bleotu, C. and Matei, L. and Ionita, P.
Bioorganic Chemistry (2012)

The UV-Absorption Spectrum of Human Iridal Melanosomes: A New Perspective on the Relative Absorption of Eumelanin and Pheomelanin and its Consequences†
Peles, D.N. and Simon, J.D.
Photochemistry and Photobiology (2012)

Isoxazolodihydropyridinones: 1, 3-dipolar cycloaddition of nitrile oxides onto 2, 4-dioxopiperidines
Coffman, K.C. and Hartley-Newman, T. and Dallas, J.L. and Kurth, M.J.
ACS Combinatorial Science (2012)

TDR Targets: a chemogenomics resource for neglected diseases
Magarinos, M.P. and Carmona, S.J. and Crowther, G.J. and Ralph, S.A. and Roos, D.S. and Shanmugam, D. and Van Voorhis, W.C. and Aguero, F.
Nucleic Acids Research D1118-D1127 (2012)

SN@ silicate: an anionic dye sorbent and its reuse
Wei, Y.P. and Gao, H.W.
J. Mater. Chem. (2012)

Radiosynthesis and Radiotracer Properties of a 7-(2-[18F] Fluoroethoxy)-6-methoxypyrrolidinylquinazoline for Imaging of Phosphodiesterase 10A with PET
Funke, U. and Deuther-Conrad, W. and Schwan, G. and Maisonial, A. and Scheunemann, M. and Fischer, S. and Hiller, A. and Briel, D. and Brust, P.
Pharmaceuticals 169-188 (2012)

Determination of the drug--DNA binding modes using fluorescence-based assays
Williams, A.K. and Dasilva, S.C. and Bhatta, A. and Rawal, B. and Liu, M. and Korobkova, E.A.
Analytical Biochemistry (2012)

5-Imino-1, 2-4-thiadiazoles and quinazolines derivatives as glycogen synthase kinase 3beta (GSK-3beta) and phosphodiesterase 7 (PDE7) inhibitors: Determination of blood--brain barrier penetration and binding to human serum albumin
Perez, D.I. and Pistolozzi, M. and Palomo, V. and Redondo, M. and Fortugno, C. and Gil, C. and Felix, G. and Martinez, A. and Bertucci, C.
European Journal of Pharmaceutical Sciences (2012)

Glycation of plasma proteins in type II diabetes lowers the non-covalent interaction affinities for dietary polyphenols
Xie, Y. and Xiao, J. and Kai, G. and others
Integr. Biol. (2012)

新型含噁二唑环的苯并噁/噻唑啉酮衍生物的合成, 表征及生物活性
李英俊 and 李春燕 and 靳焜 and 孙淑琴 and 周晓霞
化学学报 (2012)

AsteriX: a web-server to automatically extract ligand coordinates from figures in PDF articles.
Lounnas, V. and Vriend, G.
Journal of Chemical Information and Modeling (2012)

Analogues of Orphan Nuclear Receptor Small Heterodimer Partner Ligand and Apoptosis Inducer (E)-4-[3-(1-Adamantyl)-4-hydroxyphenyl]-3-chlorocinnamic Acid. 2. Impact of 3-Chloro Group Replacement on Inhibition of Proliferation and Induction of Apoptosis of Leukemia and Cancer Cell Lines
Xia, Z. and Correa, R.G. and Das, J.K. and Farhana, L. and Castro, D.J. and Yu, J. and Oshima, R.G. and Fontana, J.A. and Reed, J.C. and Dawson, M.I.
Journal of Medicinal Chemistry (2012)

Biotransformation of clovane derivatives. Whole cell fungi mediated domino synthesis of rumphellclovane A
de Souza, G.G. and Oliveira, T.S. and Takahashi, J.A. and Collado, IG and Macias-Sanchez, A.J. and Hern, R. and others
Org. Biomol. Chem. (2012)

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