QSAR, docking and ADMET studies of camptothecin derivatives as inhibitors of DNA topoisomerase-I

QSAR, docking and in vivo studies for immunomodulatory activity of isolated triterpenoids from Eucalyptus tereticornis and Gentiana kurroo

(2012) Anupam Maurya et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Pharmacophore, QSAR, and ADME based semisynthesis and in vitro evaluation of ursolic acid analogs for anticancer activity

(2012) Komal Kalani et al.   JOURNAL OF MOLECULAR MODELING

In Silico Exploration of Anti-Inflammatory Activity of Natural Coumarinolignoids

(2011) Abha Meena et al.   Chemical Biology & Drug Design

QSAR of 2-(4-methylsulphonylphenyl)pyrimidine derivatives as cyclooxygenase-2 inhibitors: simple structural fragments as potential modulators of activity

(2011) B. K. Sharma et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Pharmacophore modeling, molecular docking, QSAR, and in silico ADMET studies of gallic acid derivatives for immunomodulatory activity

(2011) Dharmendra Kumar Yadav et al.   JOURNAL OF MOLECULAR MODELING

Modelling of serotonin reuptake inhibitory and histamine H3antagonistic activity of piperazine and diazepane amides: QSAR rationales for co-optimization of the activity profiles

(2011) B.K. Sharma et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

DNA Topoisomerases and Their Poisoning by Anticancer and Antibacterial Drugs

(2010) Yves Pommier et al.   CHEMISTRY & BIOLOGY

Synthesis and docking studies of novel benzopyran-2-ones with anticancer activity

(2010) Magda M.F. Ismail et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

QM/MM based 3D QSAR models for potent B-Raf inhibitors

(2010) Jae Yoon Chung et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Rationalizing fragment based drug discovery for BACE1: insights from FB-QSAR, FB-QSSR, multi objective (MO-QSPR) and MIF studies

(2010) Prabu Manoharan et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

QSAR modeling of the inhibition of reverse transcriptase enzyme with benzimidazolone analogs

(2010) Surendra Kumar et al.   MEDICINAL CHEMISTRY RESEARCH

Exploring Novel Target Space: A Need to Partner High Throughput Docking and Ligand-Based Similarity Searches?

(2009) Kumaran Shanmugasundaram et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Partial Order Theory Applied to QSPR-QSAR Studies

(2008) Pablo Duchowicz et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING