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
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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.