ABSTRACT
Corona viral disease was first recorded in 2019 in China and WHO named as COVID-19 disease. It affect the humanmainly causes the Respiratory tract infection related symtoms[2,3]. COVID-19 not only affect the respiratory tract, gastro intestinal tract and other system also to be affected. Corona virus affect the not only the humans, animals also to be affected [4]. The Shenbaga Poo Kuligai is one of the Siddha Drug classically used in treatment of Mantham in pediatric age group. The term Mantham used in Siddha System, to mention group of Gastro intestinal disorder in Childrens and adults. The drug Shenbaga poo kuligai well treated the symptoms of SuzhiManthamclinically. Suzhimantham is Respiratory disesease followed by Gastro intestinal disorder in Childrens.So,auther decided to molecular docking study inShenbaga poo kuligai in the treatment of Noval Corona Viral disease caused bySARS CoV-2to identifify the Phyto chemical components and inhibitors to the main protease to the viruses by Computerized molecular Docking.There are 8 phyto components identified namelyGallic acid, Costunolide, Thymol, Nerolidol, Glabridin, Glycyrrhizin, s-vetivone, Limoneneand used to Docking.The Ligands showing least binding energyareGlycyrrhizin-9.51 kcal/mol, Glabridin-7.52 kcal/mol, Nerolidol-6.32 kcal/mol.These binding energies shows efficient Docking of Shenbaga poo kuligai and inhibition of the viral main Protease. Binding of phytocomponents with the core amino acids (Leu 27, His 41, Gly 143, Cys 145, His 163, His 164, Met 165, Glu 166, Pro 168, His 172) of the target by forming hydrogen bond will hinder the function of the target COVID-19 main protease [3-chymotrypsin-like protease (3CL pro) ]- PDB- 6LU7 is considered to be the potential target as it is highly essential for cleavage of polyprotein to get16 nonstructural proteins (called nsp1-nsp16). These non-structural proteins are highly essential for viral replication and survival[1]. Thereby phytocomponents which inhibit the target 3CL pro enzyme may act as a potential therapeutic agent for management of COVID-19 and related symptoms. Copyright © 2022 Wolters Kluwer Medknow Publications. All rights reserved.