Pharmacophore mapping, molecular docking and QSAR studies of structurally diverse compounds as CYP2B6 inhibitors

Crystal Structure of a Cytochrome P450 2B6 Genetic Variant in Complex with the Inhibitor 4-(4-Chlorophenyl)imidazole at 2.0-A Resolution

(2010) S. C. Gay et al.   MOLECULAR PHARMACOLOGY

On further application of r m2 as a metric for validation of QSAR models

(2009) Indrani Mitra et al.   JOURNAL OF CHEMOMETRICS

Exploring 2D and 3D QSARs of 2,4-Diphenyl-1,3-oxazolines for Ovicidal Activity AgainstTetranychus urticae

(2009) Kunal Roy et al.   Quantitative structure-activity relationships & combinatorial science

Comparative QSAR Studies of CYP1A2 Inhibitor Flavonoids Using 2D and 3D Descriptors

(2008) Kunal Roy et al.   Chemical Biology & Drug Design

Molecular Characterization of CYP2B6 Substrates

(2008) Sean Ekins et al.   CURRENT DRUG METABOLISM

CYP2B6: New Insights into a Historically Overlooked Cytochrome P450 Isozyme

(2008) Hongbing Wang et al.   CURRENT DRUG METABOLISM

Stereoselective Bupropion Hydroxylation as an In Vivo Phenotypic Probe for Cytochrome P4502B6 (CYP2B6) Activity

(2008) Evan D. Kharasch et al.   JOURNAL OF CLINICAL PHARMACOLOGY

Development of linear and nonlinear predictive QSAR models and their external validation using molecular similarity principle for anti-HIV indolyl aryl sulfones

(2008) Kunal Roy et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Exploring the impact of size of training sets for the development of predictive QSAR models

(2007) Partha Pratim Roy et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

On Some Aspects of Variable Selection for Partial Least Squares Regression Models

(2007) Partha Pratim Roy et al.   Quantitative structure-activity relationships & combinatorial science