Evaluation of the anti-diabetic drug sitagliptin as a novel attenuate to SARS-CoV-2 evidence-based in silico: molecular docking and molecular dynamics.

ABSTRACT: The current outbreak of COVID-19 cases worldwide has been responsible for a significant number of deaths, especially in hospitalized patients suffering from comorbidities, such as obesity, diabetes, hypertension. The disease not only has prompted an interest in the pathophysiology, but also it has propelled a massive race to find new anti-SARS-CoV-2 drugs. In this scenario, known drugs commonly used to treat other diseases have been suggested as alternative or complementary therapeutics. Herein we propose the use of sitagliptin, an inhibitor of dipeptidyl peptidase-4 (DPP₄) used to treat type-II diabetes, as an agent to block and inhibit the activity of two proteases, 3CL^pro and PL^pro, related to the processing of SARS-CoV-2 structural proteins. Inhibition

SUBMITTER: da Cruz Freire JE 

PROVIDER: S-EPMC9640538 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature