Abstract
3-chymotrypsin-like protease (3CL(PRO)) is found in severe acute respiratory syndrome coronavirus (SARS CoV)-2, and transmembrane protease serine 2 (TMPRSS-2) in humans, both of them have a role in viral attachment and proliferation. 3CL(PRO) and TMPRSS-2 are the most vital target for the discovery of an anti-corona virus. One efficient approach used to screen potential active compounds against specific target proteins, such as 3CL(PRO) and TMPRSS-2, is molecular docking. Cepharanthine (CEP) exhibits antiviral activity in SARS-CoV at 9.5 mu g/mL IC50 level. This study aims to perform an in silico study on CEP against non-structural SARS-CoV-2 3CL(PRO) and host transmembrane protease serine 2 protein. Molecular docking studies were carried out using compounds against 3CL(PRO) and TMPRSS-2 proteins through Swiss model, Uniport, PROCHECK, Swiss PDB viewer, PyMol, and PyRx computerized software. CEP displayed strong binding interactions -8.5 and -7.4 Kcal/mol with the 3CL(PRO), and TMPRSS-2 proteins. In all cases, CEP showed better binding affinities than FDA-approved anti-corona virus drug (Camostat mesylate, CAM) is currently underused in COVID-19. CEP may be one of the potentials leads to fighting against SARS-CoV-2. Further in vivo studies should be required to support the findings of this study.