Molecular Docking of Bawang Dayak (Eleutherine bulbosa) Secondary Metabolites as Bacterial Cell Wall Synthesis Inhibitor

Abstract

This study aims to determine the type of secondary metabolite from bawang dayak with the highest inhibition activity of cell wall synthesis. This research was carried out in silico by docking method using Autodock Vina 1.1.2 on several bawang dayak metabolites on the active site of cell wall synthesis receptors. The main parameter used was the free energy of binding as affinity marker. The docking results showed that among the 24 metabolites used, the highest affinity was shown by eleutherol A, a naphthalene derivative with a ΔG value of -9.4 kcal/mol. The affinity shown is even higher than the natural ligand of the receptor, which shows that eleutherol A has the potential to be developed as an inhibitor of microbial cell wall synthesis. In other words, the isolation of eleutherol A from bawang dayak can be done to increase its potential as an antimicrobial through inhibition of cell wall synthesis.