In silico study of the interaction of taurocholic acid from eel (Anguilla bicolor bicolor) with angiotensin-converting enzyme 2

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Putu Chandra Swandewi, Hernawati, Trina Ekawati Tallei, Diah Kusumawaty

2023 AIP Conference Proceedings Vol. 2734 Issue 1 Conference paper Cited by 0 SDG 3 Quartile

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 by looking at the binding affinity and molecular interactions between the ligand and the receptor. 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. © 2023 Author(s).

Affiliations

Biology Study Program, Department of Biology Education, Universitas Pendidikan Indonesia, Bandung, 40154, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Sam Ratulangi, Manado, 95115, Indonesia

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