Molecular modelling studies of diphenylquinoxaline derivatives as c-met kinase: A comparison of various docking softwares

Abstract

In this work a total of twelve Quinoxaline derivatives was selected for molecular docking comparative studies. These molecules are selected based on synthetic compounds with inhibitory activity against c-met kinase. Autodock 1.5.6, patchdock and Igemdock were used for molecular docking comparative analysis of 12 Quinoxaline derivatives into the active site of c met kinase obtained from x ray crystal structure 1r1w.pdb. It revealed that a number of sulfonamido quinoxaline derivatives have presented better energy values than the co crystallized ligand, Nilotinib and can interact with catalytic residues, thus making them possible catalytic inhibitors against c-met kinase.