Archive \ Volume.6 2015 Issue 5

QSAR AND DOCKING STUDIES OF CHLORPROPAMIDE DERIVATES

Teodora E. Harsa , Alexandra M. Harsa and Mircea V. Diudea
Abstract

A study of 40 chlorpropamide derivatives, QSAR (Quantitative Structure Activity Relationship) and molecular docking approaches were applied to explore the structural requisites of chlorpropamide derivatives for CYTOCHROME P450 2C9 inhibitory activity. A set of forty chlorpropamide, was modeled, within the hypermolecule strategy; the predicted activity was LD50 and prediction was done on similarity clusters with the leaders chosen as the best docked ligands on the CYTOCHROME P450 2C9.