Identification of Potential Phytochemicals Against Cyclin-Dependent Kinase 1 and Cyclin-Dependent Kinase 2: A Molecular Docking and Molecular Dynamic Approach

Abstract

Cancer is one of the leading causes of mortality worldwide and researchers are working to find new ways to cure it. Cancer is a disease characterized by abnormal cell development with the ability to invade and spread to other sections of the body. Breast cancers, colon cancers, lung cancers, liver cancers, rectum cancers, and stomach cancers are the most common cancers over the globe. Cyclin-dependent kinases are one of the causes of cancer and they are protein kinases. Cyclin-dependent kinases play important roles in controlling cell division in cancer cells. This study aims to find potential cyclin-dependent kinases 1 and cyclin-dependent kinases 2 inhibitors. Several phytochemicals were subjected to molecular docking against cyclin-dependent kinases 1 and cyclin-dependent kinases 2 and phytochemicals having good binding affinity were subjected to molecular dynamic simulation to determine the stability of protein-ligand complexes.