Synthesis of thiazolo[3,2-a]pyrimidine molecules, in vitro cytotoxic evaluation and molecular docking studies

Abstract

Novel hybrid molecules of thiazolopyrimidine 4a–j have been prepared starting fromvarious thiazoles 3a–j . The reaction of thiazoles 3a–j with thiourea yielded hybridmolecules 4a–j in an excellent yield. These molecules were screened for their anticanceractivities against human breast carcinoma cell line (MCF-7), human lungadenocarcinoma cell line (A549) and human cervical cancer cell line (HeLa) using MTTassay. Among all molecules, compounds 4g and 4f exhibited potent cytotoxic activity.Compound 4g with IC value of 3.1 ± 0.4 μM and IC value of 9.8 ± 0.4 μM against A549and HeLa cell line, respectively. Compound 4f with IC value of 6.8 ± 0.7 μM against MCF-7 molecular docking study of all synthesized molecules 4a–j was performed on