Synthesis, in vitro and in silico studies of pyrazole analogs as SARS-CoV-2 inhibitors

Abstract

A novel coronavirus, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), emerged as a global pandemic disaster and a reason for millions of death worldwide. Developing a targeted therapy is highly beneficial to overcome the virulent disease. A series of pyrazole analogs were synthesized and screened against 3CLpro of SARS-CoV-2. Among thirty nine synthesized analogs, ten compounds displayed anti-SARS activity at 22 to 39 µM level. Also, the initial hits were subjected to docking studies to understand the binding mode and that insight studies may be helpful in further drug development of 3CLpro inhibitor of SARS-CoV-2.