Phytochemical Screening of Adathodai Kudineer A Siddha Herbal concoction and Evaluation of its binding affinity with SARS-CoV-2 Spike Protein and ACE2 Receptor Spike protein Complex through Molecular Docking in silico approach

Adathodai kudineer (AK) a Classical Siddha formulation is used to treat various fevers which cause moderate severe acute respiratory symptoms as indicated in the text. GC-MS analysis was carried out identify presence of potent lead molecules AK against novel corona virus. The aqueous extract has shown following bioactive compounds such Napthalene, Benzene Propanol, Acetic Acid, Furazan-3-amine, Pyrazol-4-Carboxylic acid, 2(3H) Furanone. ethanolic exhibited molecular Eucalyptol, Toluene, 2-Carene, Alpha-Copaene, 1,6-Cyclodecadiene, Aromadendrene, Gamma-murolene, Beta-copaene, Cubebol, Selina-3,7 (11) - Diene, 2-Butanone. Molecular docking powerful approach current trends possibility pharmacological effects medicinal could be exerted over their Corresponding Protein targets are relevant for causing disease. Using Auto dock Vina Software, biomolecules were analyzed through SARS-CoV-2 Spike (PDB ID 6LU7) and – ACE 2 receptor complex (6LZG). ADME properties also recorded extracts using online tool SWISS ADME. binding energy observed order: -10.9 Kcal/mol, -8.0 -7.8 Kcal/mol Gamma-Murolene, (11)–Diene respectively towards protein target 6LZG -8.2 -6.6 Kcal/Mol, -6.5 Aromadendrene 6LU7. These findings confirm that Kudineer some activity Virus COVID19