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Research Article Open Access

Molecular Docking Study of Substituted Chalcone Compounds as Potential Cyclin-Dependent Protein Kinase 2 (Cdk-2) Inhibitors

Kanhaiya M. Dadure1, Animeshchandra G. M. Haldar2,*, Debarshi Kar Mahapatra3

1Department of Chemistry, Bajaj College of Science College, Wardha 442001, Maharashtra, India

2Department of Applied Chemistry, Priyadarshini Bhagwati College of Engineering, Nagpur 440009, Maharashtra, India

3Department of Pharmaceutical Chemistry, Dadasaheb Balpande College of Pharmacy, Nagpur 440037, Maharashtra, India

Adv. Mater. Proc., 2020, 5 (4), 20040413

DOI: 10.5185/amp.2020.040413

Publication Date (Web):10/08/2020

Copyright © IAAM-VBRI Press

Abstract


The present investigative studies involve molecular docking study of substituted thiophene-based chalcone compounds (A1-A9) against anti-cancer therapeutic target cyclin-dependent protein kinase-2 (Cdk-2) (PDB ID: 1HCL) for identifying and developing potential inhibitors. Few imperative physicochemical properties such as stretching, bending, stretching-bending, torsion, Non-1,4 VDW, 1,4 VDW, total steric energy for frame, and total energy of the best inhibitors have also been determined.

Keywords


Chalcone, Thiophene, CDK-2, Docking, Inhibitors.