Biogenesis: Jurnal Ilmiah Biologi
Vol 8 No 2 (2020)

The Potential Role of 6-gingerol and 6-shogaol as ACE Inhibitors in Silico Study

Yohanes Bare (Nusa Nipa University)
Maria Helvina (Nusa Nipa University)
Gabriella Chandrakirana Krisnamurti (King Mongkut’s University of Technology)
Mansur S (NUSA NIPA UNIVERSITY)



Article Info

Publish Date
30 Dec 2020

Abstract

Hypertension has become the third highest cause of death in Indonesia. The condition is correlated with angiotensin-converting enzyme (ACE), and possibly managed with the use of drugs. In addition, some natural compounds, including 6-shogaol and 6-gingerol from ginger, are used to decrease blood pressure. However, the mechanism and binding site of these compounds to ACE protein is currently unclear. This study, therefore, aims to investigate the potential role of these compounds as an angiotensin-converting enzyme inhibitor. The ACE protein was downloaded from Protein Data Bank (PDB) database with the ID: 3bkk, while the 6-shogaol (CID: 5281794) and 6-gingerol (CID: 44559528) ligands were obtained from the PubChem database. Meanwhile, molecular docking was established using HEX 8.0.0 software. The analysis examined the amino acid residues and the bonds formed from these interactions. According to the results, 14 amino acid residues were formed by the interaction between 6-shogaol and ACE, while the interaction between 6-gingerol and ACE formed eight amino acids. Also, 13 amino acid residues in the novelty binding site of ACE were discovered to be blocked by the ligands from ginger. Therefore, the compounds have potential roles as inhibitors, and this possibly helps to prevent regulation of the renin-angiotensin system. These interactions also formed hydrogen bonds, as well as electrostatic, unfavorable, and hydrophobic sites, making the binding stronger than others. 

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Journal Info

Abbrev

biogenesis

Publisher

Subject

Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Immunology & microbiology

Description

Biogenesis: Jurnal Ilmiah Biologi is a peer-reviewed and open-access journal that publishes original scientific work with the advancement of tropical bioscience in Asia. The integration between Islam and tropical bioscience explicitly represents the Biogenesis: Jurnal Ilmiah Biologi as an academic ...