IDENTIFICATION OF POTENT BIOACTIVE COMPOUNDS FROM TERMINALIA CHEBULA (RETZ.) TARGETING MULTIPLE RECEPTORS OF SARS-COV-2 THROUGH IN SILICO APPROACH: KING OF AYURVEDA AGAINST COVID-19

Kethavath Srinivas Naik*, Manubotula Durga Sahithya, Chittimalla Shyam Kumar, Dhurgham Al-Fahad, Mote Srinath

ABSTRACT

Terminalia chebula (Retz.) (T. chebula), is a valuable medicinal tree in Asian countries with potential anti-viral properties. It is considered as “King of Medicine” and “Mother of Medicine” due to its exceptional medicinal properties in fighting against various diseases. The bioactive compounds from the T. chebula were identified and in silico molecular docking was carried out aiming various SARS-CoV-2 targets. The binding energies of the T. chebula active compounds towards the active sites of various protein targets of SARS-CoV-2 were represented as MolDock scores and compared with the reference drug scores. Chebulinic Acid, 1,2,3,4,6 penta galloyl β-D-glucose, Chebulagic acid, Terflavin C, Arjunin, Terflavin D, Ellagitanin, Chebulanin, Casuarinin, Punicalin, Corilagin, 1,6 di-O-galloyl-D-glucose, galloyl glucose has shown high binding energies than the reference drugs. Further, in silico ADMEK analysis revealed, all the bioactive compounds from T. chebula having good bioavailability and no-toxicity except Pyrogallol. We thus hypothesize; various phyto-bioactive compounds of T. Chebula may act as a new alternative in the treatment of COVID-19 infection based on the holistic concept of traditional Indian medicine principle.

Keywords: Terminalia Chebula (Retz.), COVID-19, SARS-CoV-2, In silico docking.