[e-ISSN : 2277-2782]

Molecular Modelling Studies of Diphenylquinoxaline Derivatives as C-Met Kinase: A Comparison of Various Docking Softwares

International Journal of Novel Trends in Pharmaceutical Sciences,2017,7,5,139-144.
Published:October 2017
Type:Research Article
Authors:
Author(s) affiliations:

Nehla Yahcoob1,*, Baskar Lakshmanan1, B Vijayakumar1, Jyothi Achuthananthan1, Thushara C2, Ravichandra Vandal2
1Department of Pharmaceutical Chemistry, Grace College of Pharmacy, Kodunthirapully, Palakkad 678004-Kerala, India.
2Department of Pharmacy Practice, Grace College o Pharmacy, Kodunthirapully, Palakkad 678004-Kerala, India.

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.

The best pose of the standard drug nilotinib