PRELIMINARY MOLECULAR DOCKING SIMULATION STUDY OF SOME ANTI-VIRAL DRUGS IN SEARCH OF ANTI-nCOVID19 AGENTS

Viral infection caused by corona virus named 2019-nCov has become pandemic affecting over 200 countries and leading to over 0.25 million deaths worldwide. At present there is no approved drug available specific against 2019-nCov. The present research work is focused on preliminary molecular docking evaluation of forty already available anti-viral drugs using 2GTB and 2GX4 Mpro proteins complexes. The docking simulation study result indicates that Ponatinib with highest docking score might be useful against 2019-nCov whereas, Delavirdine, Idoxuridine, Raltegravir with good docking score may be considered to treat 2019-nCov. The present article may be used by researchers to further detailed evaluation of these drugs as well as by medical professionals to fight against this infection.