Kanhaiya M. Dadure; Animeshchandra G. M. Haldar; Debarshi Kar Mahapatra
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 ...
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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.
