Design, Synthesis and Molecular Docking Studies of Novel Pyridine and 1,2,3-Triazole Hybrid Molecules

Abstract

Abstract

The novel molecular hybrids using substituted pyridines and triazole were synthesized efficiently. Molecular docking studies were performed using these newly synthesized substituted pyridines tethered with triazoles to predict their activity using Glide docking module towards CDK2 protein. Furthermore, the percentage of human oral absorption was also predicted using QikProp tool. Most of the designed hybrid molecules indicated that they were responsible for CDK2 protein inhibition and it was found that these compounds may be utilized to develop prospective CDK2 protein inhibitors for the treatment of cancer.