ORIGINAL ARTICLE

Drug Repurposing Approach: In-silico Studies on Natural Antiviral Analogues as Therapeutic Agents for COVID-19 

The severe acute respiratory coronavirus 2 syndrome, commonly acknowledged as COVID-19, has become a public health issue. Originally, it emerged in Wuhan, China in December 2019. Due to its strong contagion, it spread to almost 187 countries. Precautionary steps remain the only binding technique to avoid transmissions from the entity before an appropriate form of care or vaccination is established. In the middle of the contagion, new molecule discovery and production are labour-intensive and tiring. The principle of the discovery of therapeutically powerful molecules from the library of known molecules is medication repurposing.The goal of this article is to estimate and classify natural antiviral analogues as inhibitor medicines such as 7-O-Methyl-glabranine, Odorinol, Taspine, Lycorine, Fulvoplumierin Calmolide A, Coriandrin, Inophyllum B, Inophyllum P and Apigenin for COVID-19 main protease inhibitors and compared with commercial antiviral medication Nelfinavir. The 3D association of SARS coronavirus proteins main protease were reserved from Protein Data Bank and docking assessments done with AutoDock Vina software among target proteins and ligands. The research indicated further sensitivity to the negative dock energy against large protease in all inhibitor products. Studies in molecular docking have shown that Inophyllum P is a natural coumarin derivative of exceptional inhibition with a binding energy value of -8.4, -9.7 kcal / mol of 5N5O and 6LU7 enzyme, relative to the other compounds and Nelfinavir antiviral medication (Binding energy -7.8 and -8.1 Kcal/mol). The medication repurpose method gave great insight into treatments that may be effective in the management of corona virus disease.Therefore, the new in-silico test offers structural understanding of COVID-19 protease and too its molecular connection to some protease inhibitors recognised.