Logo-jhp
J Herbmed Pharmacol. 2025;14(2): 188-199.
doi: 10.34172/jhp.2025.52905
  Abstract View: 7
  PDF Download: 5

Original Article

Inhibition of hepatitis C virus by Avicennia marina (Forssk.) Vierh. leaves extract: Liquid chromatography-high-resolution mass spectrometry, network pharmacology, molecular simulation, and in vitro study

Muhammad Arba 1* ORCID logo, Sunandar Ihsan 1 ORCID logo, Fathar Muhamad Irfansya Hatma 1 ORCID logo, Jamili Jamili 2 ORCID logo, Setyanto Tri Wahyudi 3 ORCID logo, Tutik Sri Wahyuni 4 ORCID logo

1 Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Halu Oleo, Kendari, Indonesia
2 Department of Biology, Faculty of Science, Universitas Halu Oleo, Kendari, Indonesia
3 Department of Physics, IPB University, Bogor, Indonesia
4 Department of Pharmaceutical Science, Faculty of Pharmacy, Universitas Airlangga, Indonesia
*Corresponding Author: Muhammad Arba, Email: muh.arba@uho.ac.id

Abstract

Introduction: Avicennia marina (Forssk.) Vierh. is known for its antiviral property. However, therapeutic mechanisms of the plant against hepatitis C virus (HCV) are still unclear. Therefore, this study aimed to determine the potential of A. marina leaves extract to inhibit HCV infection. The study procedures were carried out using a network pharmacology approach based on liquid chromatography-high-resolution mass spectrometry (LC-HRMS) data.

Methods: LC-HRMS was performed to identify the chemical composition of A. marina methanolic extract, while network pharmacology was carried out to determine protein targets and signaling pathways in HCV associated with A. marina. In addition, molecular docking and dynamic simulations were used to understand molecular interaction of each single compound with its single protein target, followed by in vitro testing to validate the computational results.

Results: The results of LC-HRMS analysis identified the presence of 74 compounds in the extract, with 70 adhering to Lipinski’s Rule of Five. Network pharmacology analysis showed 88 potential therapeutic targets. Molecular docking performed on the top 3 protein targets (Interleukin-6/IL-6, signal transducer and activator of transcription 3/STAT3, and tumor necrosis factor-α/TNF-α) showed that 2 compounds, Comp28 and Comp63, had the potential to inhibit IL-6, while 3 compounds, Comp4, Comp7, and Comp48, were identified as potential inhibitors of TNF-α. In vitro test against HCV demonstrated an IC50 value of 12.664 ± 0.984 µg/mL.

Conclusion: This study suggests that A. marina leaves extract can act on IL-6, STAT3, and TNF for inhibiting HCV.


Implication for health policy/practice/research/medical education:

The results of this study provide scientific evidence for understanding molecular mechanisms of A. marina to treat HCV infection.

Please cite this paper as: Arba M, Ihsan S, Hatma FMI, Jamili J, Wahyudi ST, Wahyuni TS. Inhibition of hepatitis C virus by Avicennia marina (Forssk.) Vierh. leaves extract: Liquid chromatography-high-resolution mass spectrometry, network pharmacology, molecular simulation, and in vitro study. J Herbmed Pharmacol. 2025;14(2):188-199. doi: 10.34172/jhp.2025.52905.

First Name
Last Name
Email Address
Comments
Security code


Abstract View: 7

Your browser does not support the canvas element.


PDF Download: 5

Your browser does not support the canvas element.

Submitted: 07 Jan 2025
Revision: 28 Feb 2025
Accepted: 04 Mar 2025
ePublished: 01 Apr 2025
EndNote EndNote

(Enw Format - Win & Mac)

BibTeX BibTeX

(Bib Format - Win & Mac)

Bookends Bookends

(Ris Format - Mac only)

EasyBib EasyBib

(Ris Format - Win & Mac)

Medlars Medlars

(Txt Format - Win & Mac)

Mendeley Web Mendeley Web
Mendeley Mendeley

(Ris Format - Win & Mac)

Papers Papers

(Ris Format - Win & Mac)

ProCite ProCite

(Ris Format - Win & Mac)

Reference Manager Reference Manager

(Ris Format - Win only)

Refworks Refworks

(Refworks Format - Win & Mac)

Zotero Zotero

(Ris Format - Firefox Plugin)