机译:Advances in Computational Prediction of Regioselective and Isoform-Specific Drug Metabolism Catalyzed by CYP450s
Shri Vile Parle Kelavani Mandals SVKMs Narsee Mon, SPTM, Dept Pharmaceut Chem, Mukesh Patel Technol Pk,Mumbai Agra Rd, Shirpur 425405, India;
Cytochrome P450; drug metabolism; regioselectivity; isoform specificity; site of metabolism (SOM); molecular modelling; CYTOCHROME P450-MEDIATED METABOLISM; DENSITY-FUNCTIONAL THEORY; CYP-MEDIATED SITES; IN-SILICO; MOLECULAR-DYNAMICS; COMPOUND-I; QUANTITATIVE PREDICTION; HYDROGEN ABSTRACTION; 2-STATE REACTIVITY; WATER-MOLECULES;