In Silico Study of the Interaction of Taurocholic Acid from Eel (Anguilla bicolor bicolor) with Angiotensin-converting Enzyme 2 Putu Chandra Swandewi1, b), Hernawati1, c), Trina Ekawati Tallei2, d), and Diah Kusumawaty1, a)*
1Department of Biology, Faculty of Mathematics and Natural Sciences Education, Universitas Pendidikan Indonesia, Bandung 40154, Indonesia
2Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Sam Ratulangi, Manado 95115, Indonesia
*Corresponding author: diah.kusumawaty[at]upi.edu
Abstract
Coronavirus Disease 2019 (COVID-19) caused by severe acute respiratory syndrome 2 (SARS-CoV-2) prompted many researchers to explore a cure for COVID-19. Among these efforts is the investigation of natural ingredients derived from animals as potential sources of new drugs. This study aims to evaluate the potential of taurocholic acid (TA) derived from eel (Anguilla bicolor bicolor) in binding to Angiotensin-converting Enzyme 2 (ACE2) using molecular docking analysis. This study reveals that the binding free energy of TA to ACE2 was -6.3 kcal/mol. Molecular interactions occur through hydrogen bonding of TA with two amino acids on the active site of ACE2. Further research is needed to determine the dynamic interaction of the binding of TA to ACE2. The findings of this study can be used as a starting point for using eel secondary metabolites to treat COVID-19.
