Jurnal Ilmu Medis Indonesia
Vol 5 No 2 (2026): Maret

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

Hilma Tri Annisa (Universitas Bakti Tunas Husada Tasikmalaya, Tasikmalaya, Indonesia)
Asti Awaliyah Weguna (Universitas Bakti Tunas Husada Tasikmalaya, Tasikmalaya, Indonesia)
Saeful Amin (Universitas Bakti Tunas Husada Tasikmalaya, Tasikmalaya, Indonesia)



Article Info

Publish Date
13 Mar 2026

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.

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Journal Info

Abbrev

jimi

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Health Professions Immunology & microbiology Medicine & Pharmacology Public Health

Description

Published by Penerbit Goodwood, Jurnal Ilmu Medis Indonesia (JIMI) is a peer-reviewed scholarly journal that publishes articles in the field of medical sciences in Indonesia. JIMI welcomes researchers, academicians, as well as practitioners to submit well-written manuscripts discussing contempory ...