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All Journal Pharmaciana: Jurnal Kefarmasian Indonesian Journal of Pharmaceutical Science and Technology JMM (Jurnal Masyarakat Mandiri) Jurnal Kreativitas PKM Abdimas Umtas : Jurnal Pengabdian kepada Masyarakat JURNAL FARMASI GALENIKA JURNAL FARMASIMED (JFM) Abdimas Galuh: Jurnal Pengabdian Kepada Masyarakat Jurnal Media Informatika Jurnal Pengabdian Masyarakat : Pemberdayaan, Inovasi dan Perubahan Jurnal Ilmu Medis Indonesia Journal Of Human And Education (JAHE) Jurnal Farmasi Klinik dan Sains Indonesian Research Journal on Education Madani: Multidisciplinary Scientific Journal Jurnal An-Najat: Jurnal Ilmu Farmasi dan Kesehatan Journal of Information System, Technology and Engineering Obat: Jurnal Riset Ilmu Farmasi dan Kesehatan Borneo Journal of Pharmacy Journal of Public Health Science (JoPHS) Jurnal Kefarmasian Indonesia Science: Indonesian Journal of Science Journal of Pharmacopoeia Jurnal Ilmiah Ilmu Kesehatan World Health Digital Journal (wolgitj)
Saeful Amin, Saeful
Prodi Farmasi, STIKes Bakti Tunas Husada Tasikmalaya
Religion Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Economics, Econometrics & Finance Education Energy Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Nursing Physics Public Health Social Sciences Veterinary Other

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Literature Review: Exploration of Natural Compounds for the Development of SARS-CoV2 Antiviruses through Docking-ADMET Annisa, Hilma Tri; Weguna, Asti Awaliyah; Amin, Saeful
Jurnal Ilmu Medis Indonesia Vol 5 No 2 (2026): Maret
Publisher : Penerbit Goodwood

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 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.
Systematic Study of Multitarget Molecular Docking: from Polypharmacology to Tissue Pharmacology Amin, Saeful; Cahyani, Regita Putri; Riyanti, Anis
Jurnal Ilmu Medis Indonesia Vol 5 No 2 (2026): Maret
Publisher : Penerbit Goodwood

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35912/jimi.v5i2.5697

Abstract

Purpose: This study describes the shift in modern drug discovery toward a computational systems-based paradigm, emphasizing multi-target molecular docking as a key strategy to unravel complex molecular interactions in biological systems. Methods: A systematic literature review was conducted using publications from 2020 to 2025 retrieved from the PubMed, Scopus, ScienceDirect, and MDPI databases. Results/findings: The analysis demonstrates that integrating molecular docking, Molecular Dynamics (MD) simulations, and network pharmacology enhances polypharmacology and drug repurposing strategies for complex diseases, such as diabetes, Alzheimer's, and viral infections. Bioactive compounds, including quercetin, luteolin, kaempferol, diosgenin, ?-amyrenone, and copper (II) complexes, target critical biological pathways (AGE–RAGE, NF-?B, STAT3–CASP3–HIF1A) and essential viral proteins. Conclusions: The integration of multi-target molecular docking, network pharmacology, and AI-based drug design forms a new paradigm in modern drug discovery. This approach enables a systemic analysis of ligand–protein interactions, accelerates the identification of therapeutic targets, and improves the accuracy and efficiency of virtual screening. The combination of these three approaches strengthens the direction towards computational systems pharmacology, which supports data-driven and sustainable drug design. Limitations: This study is based solely on existing computational data, without experimental validation to confirm the predicted interactions. Contributions: This study highlights the integrative potential of multi-target molecular docking and network pharmacology as a bridge between computational prediction and experimental pharmacology. It offers a conceptual foundation for AI-assisted drug design and encourages future research on experimental validation and predictive modeling to optimize multitarget therapies.
Co-Authors Abdurrahman, Muhammad Iqmal Afifah, Fitri Nur Aisyah, Rohmah Ala Anistia Widya Alfarizi, Andris Allita, Nur Alya, Elsa Amelya, Isti Nisa Amelya, Risna Anggi Setiawan, Rio Anisa, Anis Anna Yuliana, Anna Annisa, Hilma Tri Ansyirohanisa Ansyirohanisa, Ansyirohanisa Apriliani, Cici Aprillia, Ade Yeni Ardian, Mohamad Idwar Arman, Siti Alisa Assafa, Zifa Athaya, Rahil Auliya, Shafa Awalia, Najla Nisa Az Zahra, Siti Zulfa Azijah, Rachma Nur Azzahra, Shafa Meyliana Beni Maulana Habib Cahya, Nabilla Amelia Cahyani, Regita Putri Claudya, Stefanie Darmawan, Muhammad Rahmat De Hiban Fauzan Mabruro Destian, Lufi Dian Eka Pratama, Dian Eka Fadli Fadli Fajarini, Syifa Rizkia Fajrin, Ari Muhammad Fatihatul Makia, Fina Fauzi, Rifqi Ahmad Febriana Nur Anggraeni Fernanda, Refa Fitri, Nabila Ainul Fitria, Annisya Ahya Friana, Derina Agus Fuadah, Iga Syamratul GUNAWAN, ADRI Gunawan, Febrianti Rizki Guspiana, Rudi Harahap, Fithriyah Salsabila Hasanah, Muna Shintya Heppi Syofya, Heppi Herawati, Tantri Herdianti, Nita Heryanto, Popih Huda, Dian Fitri Kulyatul Huda, Muhammad Ismail Sabilul Hurry, Zulfan Alfairuz Zabbady Husen, Desinta Nurohman Ibadurrahman, Rifki Ilham Alifiar, Ilham Imani, Anneu Deanti Ira Rahmiyani Jannah, Isma Aenul Judijanto, Loso Justicia, Adhisty Kharisma Jutti Levita Khaerina, Yunisa Kurniawan, Yoga Sugama Kushariyadi Kusumadewi, Fitria Balqis Lansini, Sinka M, Maesaroh Maharani, Cici Maharani, Komang Dewi Maria, Hana Diana Meilani, Yeni Meithasari, Fauziah METI MEGAWATI, METI Muhammad Rahmat Darmawan Muhtar, Nenden Laila Nurafifah Mulhimah, Ai Mustafidah, Syifa Nabila, Liza Salsa Nabila, Nazelia Saila Nabila, Tiana Zulfa Nabila, Yesita Yumna Nadhira Alika Putri Neng Widy Widiyawati Nurahman, Rima Putri Nurassyifa, Reva Puspa Rizkia Nurcahya, Eulis Nurhadiska, Muchamad Nizam Nurliawati, Fadhillathul Paridah, Dea Nur Pebiansyah, Anisa Pitara, Devi Pujiyani, Delya Putri, Listya Nurina Putri, Puspa Virgiantika Adzkia Rachmat, Shinta Widia Rahmawati, Desti Rais, Rinovian Ramadani, Adinda Laisya Ramdhiani, Nova Dwi Rangga Pratama, Andi Riedho Prima Cahya Riesna Apramilda Riska Prasetiawati, Riska Riyanti, Anis Rizky Pratama Putra Rusdaita, Febia Citraeni Rusiyana, Nisrina Putri Salimah, Suci Intan Salsabila Adlina Saputra, Erwin Yuliana Satria, Deagi Taufik Shaleha, Resha Resmawati Sheryl, Vanessa Angelica Slamet Ibrahim - Soegeng Wahyoedi Sophi Damayanti Sri Adi Sumiwi Sudrajat, Nisya Aulia Rahmatillah Sulaeman, Muhammad Ilham Sumantri, Tri Adi Sumardiawan, Dhiyaa Kaamilah Supriatna, Galuh Taruna Syamsudin, Atasya Taufik Hidayat Tia Setiawati Wardiah, Shelya Nurul Weguna, Asti Awaliyah Wibisono, Mohammad Alfin Wihdatunnisa, Imelda Yuliani, Renny Yulianingsih, Tipani Sri Yulianingsih Yustianti, Fitria Zahra, Hanum Nurannisa Zahra, Naila Maulida Zain, Dichy Nuryadin Ziani, Ziani