Assessment of dual inhibition property of newly discovered inhibitors against PCAF and GCN5 throughin silicoscreening, molecular dynamics simulation and DFT approach

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(2016)   JOURNAL OF COMPUTATIONAL CHEMISTRY

A three-dimensional chemical phase pharmacophore mapping, QSAR modelling and electronic feature analysis of benzofuran salicylic acid derivatives as LYP inhibitors

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Atom-based 3D QSAR studies on novel N-β-d-xylosylindole derivatives as SGLT2 inhibitors

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Potent bace-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies

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Pharmacophore Modeling and Density Functional Theory Analysis for A Series of Nitroimidazole Compounds with Antitubercular Activity

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Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors

(2011) Sugunadevi Sakkiah et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Pharmacophore modelling and atom-based 3D-QSAR studies onN-methyl pyrimidones as HIV-1 integrase inhibitors

(2011) Karnati Konda Reddy et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Noscapinoids with anti-cancer activity against human acute lymphoblastic leukemia cells (CEM): a three dimensional chemical space pharmacophore modeling and electronic feature analysis

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Pharmacophore modeling of some novel indole β-diketo acid and coumarin-based derivatives as HIV integrase inhibitors

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Global Levels of Histone Modifications Predict Prognosis in Different Cancers

(2009) David B. Seligson et al.   AMERICAN JOURNAL OF PATHOLOGY

3D-QSAR studies of 2,2-diphenylpropionates to aid discovery of novel potent muscarinic antagonists

(2009) Apurba K. Bhattacharjee et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Histone acetyl transferases as emerging drug targets

(2009) Frank J. Dekker et al.   DRUG DISCOVERY TODAY

Prediction of Potency of Protease Inhibitors Using Free Energy Simulations with Polarizable Quantum Mechanics-Based Ligand Charges and a Hybrid Water Model

(2009) Debananda Das et al.   Journal of Chemical Information and Modeling

Pharmacokinetically-Guided Lead Optimization of Nitrofuranylamide Anti-Tuberculosis Agents

(2008) Nageshwar R. Budha et al.   AAPS Journal

Inhibition of the PCAF histone acetyl transferase and cell proliferation by isothiazolones

(2008) Frank J. Dekker et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Studies of trypanocidal (inhibitory) power of naphthoquinones: Evaluation of quantum chemical molecular descriptors for structure–activity relationships

(2008) M. Paulino et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY