A molecular docking study of lopinavir towards SARS-COV-2 target protein

Abstract

COVID-19 was the trigger for the pandemic triggered by SARS-CoV-2. Potential treatments are being used to treat it but there is no specific drug for it. In order to get a particular drug, several drug design techniques are used, in which molecular docking plays a critical role in computer-assisted drug design. In this study, the Lopinavir (LV) molecular docking of the SARS-CoV-2 receptor binding spike proteins was tested. Absorption, distribution, metabolism, excretion and toxicity (ADMET) properties were developed consistent with the expected ADMET parameters provided by Lipinski's rule using Datawarrior software version 5.2.1.