Abstract

MOLECULAR DOCKING STUDY ON APPROVED DRUGS AGAINST TREATMENT OF SARS-COV-2 PANDEMIC: A DRUG REPURPOSING STUDY

Kapoor Kapish*, Mourya Aman, Patidar Yuvraj, Khan Md Shoyab, Shroff Nayan, Kavishwar Aayushi

Abstract

COVID-19(corona virus disease -19) is a viral flu which is caused by SARS-CoV-2(severe acute respiratory syndrome corona virus 2) has affected more than 1.5 million people around the world. Currently there are 19 different ways to tackle this pandemic approved by USFDA, one of it is drug repurposing or positioning of current existing drugs. In this study more than 1800 molecules approved by the USFDA were chosen for the molecular docking studies. These molecules were docked on PDB code; 6LU7 (The crystal structure of COVID-19 main protease in complex with an inhibitor N3) using Molegro virtual docker version 6.0.1. The study helped in identifying HITS and further in vitro and in-vivo studies of the selected HITS can be studied for their therapeutic potential in treating COVID-19.

Keywords: Molecular Docking, Drug repurposing, COVID-19 or SARS-CoV-2.