3D-QSAR CoMFA studies on sulfonamide inhibitors of the Rv3588c β-carbonic anhydrase from Mycobacterium tuberculosis and design of not yet synthesized new molecules S Shalini, Supuran C.T. Journal of Enzyme inhibition & Medicinal chemistry, Early Online: 1–7, 2013 | 49* | 2013 |
QSAR study on bioconcentration factor (BCF) of polyhalogented biphenyls using the PI index PV Khadikar, S Singh, D Mandloi, S Joshi, AV Bajaj Bioorganic & medicinal chemistry 11 (23), 5045-5050, 2003 | 43 | 2003 |
Use of the PI index in predicting toxicity of nitrobenzene derivatives PV Khadikar, S Karmarkar, S Singh, A Shrivastava Bioorganic & medicinal chemistry 10 (10), 3163-3170, 2002 | 41 | 2002 |
Novel estimation of lipophilic behaviour of polychlorinated biphenyls PV Khadikar, S Singh, A Shrivastava Bioorganic & medicinal chemistry letters 12 (7), 1125-1128, 2002 | 41 | 2002 |
Study on quantitative structure–toxicity relationships of benzene derivatives acting by narcosis PV Khadikar, KC Mather, S Singh, A Phadnis, A Shrivastava, M Mandaloi Bioorganic & medicinal chemistry 10 (6), 1761-1766, 2002 | 35 | 2002 |
Comparative QSAR study on para‐substituted aromatic sulphonamides as CAII inhibitors: information versus topological (distance‐based and connectivity) indices J Singh, B Shaik, S Singh, VK Agrawal, PV Khadikar, O Deeb, ... Chemical biology & drug design 71 (3), 244-259, 2008 | 30 | 2008 |
Topological estimation of electronic absorption bands of arene absorption spectra as a tool for modeling their toxicity and environmental pollution PV Khadikar, S Singh, M Jaiswal, D Mandloi Bioorganic & medicinal chemistry letters 14 (18), 4795-4801, 2004 | 25 | 2004 |
QSARs on human carbonic anhydrase VA and VB inhibitors of some new not yet synthesized, substituted aromatic/heterocyclic sulphonamides as anti-obesity agent S Singh, CT Supuran Journal of Enzyme Inhibition and Medicinal Chemistry 27 (5), 666-672, 2012 | 24 | 2012 |
Use of PI index in computer-aided designing of bioactive compounds PV Khadikar, MV Diudea, J Singh, PE John, A Shrivastva, S Singh, ... Current Bioactive Compounds 2 (1), 19-56, 2006 | 20 | 2006 |
QSAR studies for the inhibition of the transmembrane carbonic anhydrase isozyme XIV with sulfonamides using PRECLAV software S Singh, PV Khadikar, A Scozzafava, CT Supuran Journal of enzyme inhibition and medicinal chemistry 24 (2), 337-349, 2009 | 16 | 2009 |
Comparative QSAR studies on the novel series of thiazolones and tetrazole derivatives as HCV NS5B polymerase allosteric inhibitors S Singh Letters in Drug Design & Discovery 6 (4), 286-297, 2009 | 14 | 2009 |
QSAR Study on the Inhibition of the Human Carbonic Anhydrase Cytosolic Isozyme VII S Singh Journal of the Indian Chemical Society 90 (2), 245-252, 2013 | 13* | 2013 |
Development of quantitative structure-activity relationship for a set of carbonic anhydrase inhibitors: Use of quantum and chemical descriptors PV Khadikar, O Deeb, A Jaber, J Singh, VK Agrawal, S Singh, ... Letters in Drug Design & Discovery 3 (9), 622-635, 2006 | 13 | 2006 |
Computational design and chemometric QSAR modeling of Plasmodium falciparum carbonic anhydrase inhibitors S Singh Bioorganic & Medicinal Chemistry Letters 25 (1), 133-141, 2015 | 11 | 2015 |
A novel method of estimating motor octane number (MON)-A structure property-relationship approach S Singh, S Joshi, A Shrivastava, P Khadikar NISCAIR-CSIR, India, 2002 | 11 | 2002 |
Chemometric modeling of breast cancer associated carbonic anhydrase IX inhibitors belonging to the ureido-substituted benzene sulfonamide class S Singh, CT Supuran Journal of Enzyme Inhibition and Medicinal Chemistry 29 (6), 877-883, 2014 | 10 | 2014 |
A QSAR Study on Novel Series of Carbonic Anhydrase Inhibitors hCA IX—Tumor-Associated (Hypoxia) S Singh Medicinal Chemistry 8 (4), 656-672, 2012 | 10 | 2012 |
QSPR correlations of half-wave reduction potentials of cata-condensed benzenoid hydrocarbons J Singh, S Singh, S Meer, VK Agrawal, PV Khadikar, AT Balaban Arkivoc 15, 104-119, 2006 | 9 | 2006 |
QSAR study on murine recombinant isozyme mCAXIII: topological vs structural descriptors J Singh, S Singh, S Thakur, M Lakhwani, PV Khadikar, VK Agrawal, ... Arkivoc 14, 103-118, 2006 | 9 | 2006 |
Chemometric QSAR modeling and in silico design of carbonic anhydrase inhibition of a coral secretory isoform by sulfonamide S Singh, CT Supuran Bioorganic & medicinal chemistry 21 (6), 1495-1502, 2013 | 8 | 2013 |