POTENTIAL ANTIVIRAL OF CATECHINS AND THEIR DERIVATIVES TO INHIBIT SARS-COV-2 RECEPTORS OF M pro PROTEIN AND SPIKE GLYCOPROTEIN IN COVID-19 THROUGH THE IN SILICO APPROACH

Abstract

Catechin and their derivatives have been studied to have antiviral potential against COVID-19 through in silico method “pharmacokinetics screening and molecular docking”. Pharmacokinetics and toxicity profiles were obtained through the ADMETSAR server and SwissADME server. Then proceed with the prediction of affinity through the method molecular docking using the software application MOE 2007.09. The test material is in the form of a 3D catechin structure and its derivatives as well as several control ligands downloaded via Pubmed. While template the Receptor M pro protein and the Spike glycoprotein are downloaded from pdb.org (PDB ID: 6LU7 and 6LXT). The pharmacokinetic profile of catechins is relatively better than all control ligands with the lowest toxicity. Molecular docking results also show that catechins and their derivatives have a stronger affinity than control ligands. This research proves that catechin has antiviral potential through inhibition of M pro protein and Spike glycoprotein COVID-19 virus.

Keywords

• catechin, stereoisomer, covid-19, in silico