Potential Role of Betel Leaf (Piper betle L.) Water Extract as Antibacterial Escherichia coli Through Inhibition of β-Ketoacyl-[Acyl Carrier Protein] Synthase I

Agustin, Ayu Tri and Julianto, Eko and Julianus, Julianus and Riranto, Jepri Potential Role of Betel Leaf (Piper betle L.) Water Extract as Antibacterial Escherichia coli Through Inhibition of β-Ketoacyl-[Acyl Carrier Protein] Synthase I. Tropical Journal of Natural Product Research, 6 (11). pp. 1802-1808. ISSN ISSN 2616-0684 (Print) ISSN 2616-0692 (Electronic)

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Abstract

The exploration of bioactive compounds from herbal plants as inhibitors of fatty acid synthesis
without adverse side effects is still the focus of the discovery and development of antibacterial
drugs, especially to fight infections in chronic wounds. This study aimed to investigate the
biological function of the bioactive compound of Piper betle L. leaf extract in inhibiting the
target protein of Escherichia coli. 3D structure of the bioactive compound and thiolactomycin
(as a positive control) were downloaded from PubChem. The Protein Data Bank database was
used to retrieve the 3D structure of β-Ketoacyl-[Acyl Carrier Protein] Synthase I (FabB).
Prediction of the active site of FabB was predicted using the Molegro Virtual Docker 5.0
program. Molecular interactions of the compound and target protein were analyzed using
Molegro virtual docking version 5, superimposed using PyMol version 2.2, and visualized using
the Discovery Studio program version 21.1.1. The results showed that the five bioactive
compounds of Piper betle L. (eugenol, catechin, caffeic acid, quercetin, and ascorbic acid) could
bind to the active site of FabB. All compounds were found to bind to the residues ALA271,
PRO272 and HIS298. The catechin-FabB complex showed the lowest binding energy. This
finding indicates that the Piper betle L. leaf extract's bioactive compound may inhibit the target
protein of E. coli β - Ketoacyl-[Acyl Carrier Protein] Synthase I (FabB), which leads to the
control of bacterial infection in chronic wounds at the cellular level.

Item Type:	Article
Uncontrolled Keywords:	Chronic wound, Competitive inhibitor, FabB, Fatty acid, Herbal medicine
Subjects:	R Medicine > R Medicine (General) R Medicine > RT Nursing R Medicine > RV Botanic, Thomsonian, and eclectic medicine
Divisions:	Institusi > Jurnal
Depositing User:	Eko Julianto
Date Deposited:	11 Mar 2023 01:12
Last Modified:	11 Mar 2023 01:12
URI:	http://repository.politeknikyakpermas.ac.id/id/eprint/863

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