In silico screening of mint leaves compound (Mentha piperita L.) as a potential inhibitor of SARS-CoV-2

Abstract

Introduction: The novel coronavirus in Wuhan, China, was identified at the end of December 2019 and resulted in a global outbreak. Therefore, it is necessary to perform screening of compounds in herbal plants with antiviral potential against COVID-19. Mint leaves (Mentha piperita L.) were reported as one of the proposed samples, and this study was performed in silico to evaluate the antiviral activity of the content. Methods: The proposed mechanism of action includes the inhibition of SARS-CoV-2 proteins from binding with the receptor. Subsequently, several receptors associated with SARS-CoV-2 were validated, and the one with the code PDB 5R7Y and an RMSD value of 1.9974 Å was obtained using the YASARA application. This study was performed on 15 virtual mint leaves and five previously studied comparison compounds with inhibitory capacity. Therefore, docking started with the PLANTS application, and the results were visualised using PyMol to further identify the amino acids contained in the ligand, while the statistical t-test was used for comparison. Results: The study results showed the existence of active compounds in mint leaves, including rutin, hesperidin, and isorhoifolin.