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

Annisa, Hilma Tri (Unknown)
Weguna, Asti Awaliyah (Unknown)
Amin, Saeful (Unknown)



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 ...