Synthesis, Characterization, and Anticancer Studies of Some Pyrazole-Based Hybrid Heteroatomics

摘要

Defined with a dual-mode of action, the hybrid molecule synthesis is an attractive strategy to endure the scientific challenges in drug discovery. Besides worthy development in cancer therapy, it is still a leading cause of death across the globe. Failure in terms of efficacy, selectivity and toxicity, the statistics of a potential drug to concrete the cancer is rather in bleak. In the present study, synthesized hybrid molecules were well characterized by spectroscopy techniques. The single-crystal X-ray crystallography study revealed the monoclinic crystal system of Dimethyl 1,4-dihydro-2,6-dimethyl-4-(3-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1H-pyrazol-4-yl)pyridine-3,5-dicarboxylate (5b) with spacegroup C2/c. MTT assay provided the anticancer property of the compounds Diethyl1,4-dihydro-3,5-dimethyl-4-(3-(5-methyl-1-phenyl-1H-pyrazol-4-yl)-1H-pyra-zol-4-yl)pyridine-2,6-dicarboxylate (5a) and 5-methyl-1-phenyl-4-(4-(4,5-diphenyl-1H-imidazol-2-yl)-1H-pyrazol-3-yl)-1H-pyrazole (6a) against A549 cell lines with the IC50 values of 42.79 μM and 55.13 μM respectively. The AO-EB staining assay for cell death analysis confirmed the selective action of both 5a and 6a. Further, molecular docking confirmed the effective binding with cyclin-dependent kinase (CDK2) protein, suggest-ing that the target compounds are remarkable inhibitors in dysregulating the CDK2 protein in cancer cells.