IN SILICO SCREENING AND MOLECULAR DOCKING OF PHYTOCHEMICALS OF TERMINALIA ARJUNA AND TERMINALIA CHEBULA AGAINST THE COVID-19 MAIN PROTEASE

Abstract

The exponential increase in coronavirus infection has created a catastrophe. India is witnessing a very difficult period because all ages, including young people and children, are affected by the second wave. The overburdened Medicare system in India, encounters acute shortages of medicines, oxygen and vaccines for health facilities. The main aim of this study was to develop new, highly stable SARS-CoV-2 main protease (Mpro) inhibitors. We have screened the phytochemical compounds present in the fruit of Terminalia chebula and bark of Terminalia arjuna as inhibitors of the main protease of the severe acute respiratory coronavirus 2019 (SARS-CoV-19). (6LU7). The research was carried out with the aid of AutoDock VINA. The results revealed that all-natural molecules examined were perceived in the active binding site with sizable binding energy.