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Vol. 5 No. 2 (2026): Maret

Articles

Literature Review: Exploration of Natural Compounds for the Development of SARS-CoV2 Antiviruses through Docking-ADMET

H Hilma Tri Annisa A Asti Awaliyah Weguna S Saeful Amin
13 March 2026 Vol. 5 No. 2 (2026): Maret https://doi.org/10.35912/jimi.v5i2.5646
Abstract

Purpose: This study aimed to investigate the antiviral potential of natural compounds against SARS-CoV-2 using an in-silico approach. The objective was to identify bioactive molecules from medicinal plants that effectively interact with viral target proteins and exhibit favorable pharmacokinetic and toxicity profiles.

Methodology/Approach: A systematic literature review was conducted on publications from 2020 to 2025 obtained from PubMed, ScienceDirect, and Google Scholar. Studies applying molecular docking and ADMET prediction targeting key SARS-CoV-2 proteins–namely, Mpro, PLpro, RdRp, and TMPRSS2–were selected. Docking simulations were performed using AutoDock Vina, AutoDockTools, and PyRx, and ADMET parameters were analyzed using SwissADME, pkCSM, admetSAR, and ProTox.

Results/Findings: Several compounds, including ginsenoside Rg2, azadirachtin A, Epigallocatechin Gallate (EGCG), curcumin, betulinic acid, and epicatechin-3-O-gallate, showed high binding affinities (-8. to-10. kcal/mol) and favorable pharmacokinetic and safety profiles, suggesting strong antiviral potential.

Limitations: This study is limited to computational predictions without experimental validation. Consequently, the biological efficacy of the compounds remains theoretical and requires further confirmation.

Contributions: This study integrates molecular docking and ADMET analysis to provide a comprehensive understanding of natural compounds as antiviral agents. It contributes to the development of safe, plant-based therapeutics and supports future in vitro and in vivo research.

Conclusions: The findings confirm that the selected natural compounds possess promising inhibitory activity and acceptable safety against SARS-CoV-2. Validation through experimental and clinical studies is necessary to establish their pharmacological potential.

Keywords: ADMET Analysis In Silico Study Molecular Docking Natural Compounds SARS-CoV-2 Antiviral
How to Cite
“
Annisa, H. T., Weguna, A. A., & Amin, S. (2026). Literature Review: Exploration of Natural Compounds for the Development of SARS-CoV2 Antiviruses through Docking-ADMET. Jurnal Ilmu Medis Indonesia, 5(2), 35–47. https://doi.org/10.35912/jimi.v5i2.5646
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