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. Haldar^2,*, 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

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.

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

Abstract

Keywords

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

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