Analysis of Molecular Interactions of 8-Gingerol Compounds in Ginger (Zingiber officinale) as ACE Inhibitor

Yohanes Bare (Biology Education Study Program, Faculty of Teacher Training and Education, Nusa Nipa University, Sikka, Indonesia)
Mansur s (Biology Education Study Program, Faculty of Teacher Training and Education, Nusa Nipa University, Sikka, Indonesia)
Aprianus Pani Pili (Biology Education Study Program, Faculty of Teacher Training and Education, Nusa Nipa University, Sikka, Indonesia)
Maria Helvina (Elementary School Education Study Program, Faculty of Teacher Training and Education, Nusa Nipa University, Sikka, Indonesia)

BIOEDUSCIENCE
Vol 4 No 2 (2020): BIOEDUSCIENCE

Background: Hypertension is a disease with increasing characteristics of blood pressure. The ACE gene has a role in the conversion of ATI to ATII in hypertensive conditions. Healing is done by using the 8-gingerol content contained in ginger. The purpose of this study is to analyze the molecular interaction that occurs between 8-gingerol and ACE. Method: ACE model proteins (ID: 3bkk) were obtained from the Bank Data Protein database (PDB) through 8-gingerol ligands (CID: 168114) obtained from the PubChem database. ACE and 8-gingerol were docked by Discovery Study Client 4.1 software. Analysis of amino acid residues, binding energy, Van der Waals forces, and hydrogen bonds formed using Discovery Studio Client 4.1. Results: The interaction between 8-gingerol and ACE showed that there were seven amino acid residues that interacted with 8-gingerol, also found hydrogen bonds, hydrophobic and Van der Waals forces that strengthen and stabilize these bonds. Conclusion: the interaction of 8-ginger with the active side of ACE is determined as an ACE inhibitor, the inhibition is a significant effect on the obstruction of ACE conversion.