Synthesis and In-Silico Anticancer Activity of Some Isatin Derivatives as Potential CDK2 Inhibitors

Abstract

In this paper, two compounds from Isatin derivatives were synthesized through substitution and condensation reaction upon two stages: in the first stage N-benzyl isatin (3a) was formed by reaction isatin (1) with convenient halide (2) and in the second stage, this derivative (3a) condensated with 2,6-diaminopyridine (4) for mole ratio (2:1) to yield the convenient imines (5a-b). The structures of the derivatives were characterized using FT-IR, LC-MS and ¹H-NMR spectra. A docking study of the synthesized compounds with CDK2 was performed for their anticancer activity prediction. Two compounds fit well in the active site that have shown favorable and important binding interactions and could have inhibition ability. Consequently, they are possibly contribute to the therapy of cancer.