ArticleViewAbstractPharmacognosy Journal,2022,14,5,575-579.DOI:10.5530/pj.2022.14.138Published:October 2022Type:Research ArticleIn Silico Screening of Bioactive Compounds from Garcinia mangostana L. Against SARS-CoV-2 via Tetra InhibitorsNur Sofiatul Aini, Viol Dhea Kharisma, Muhammad Hermawan Widyananda, Ahmad Affan Ali Murtadlo, Rasyadan Taufiq Probojati, Dora Dayu Rahma Turista, Muhammad Badrut Tamam, Vikash Jakhmola, Elsa Yuniarti, Saddam Al Aziz, Muhammad Raffi Ghifari, Muhammad Thoriq Albari, Riso Sari Mandeli, Muhammad Arya Ghifari, Devi Purnamasari, Budhi Oktavia, Amalia Putri Lubis, Fajriah Azra, Fadhilah Fitri, ANM Ansori, Maksim Rebezov, and Rahadian Zainul Nur Sofiatul Aini1, Viol Dhea Kharisma2, Muhammad Hermawan Widyananda2,3, Ahmad Affan Ali Murtadlo2, Rasyadan Taufiq Probojati2,4, Dora Dayu Rahma Turista5, Muhammad Badrut Tamam6, Vikash Jakhmola7, Elsa Yuniarti8,9, Saddam Al Aziz8,10, Muhammad Raffi Ghifari8,11, Muhammad Thoriq Albari8,11, Riso Sari Mandeli8,12, Muhammad Arya Ghifari8,11, Devi Purnamasari8,13, Budhi Oktavia8,14, Amalia Putri Lubis8,14, Fajriah Azra8,14, Fadhilah Fitri8,15, ANM Ansori16, Maksim Rebezov17,18,19, Rahadian Zainul8,14,* 1Faculty of Mathematics and Natural Sciences, State University of Surabaya, Surabaya, INDONESIA. 2Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, INDONESIA. 3Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, INDONESIA 4Faculty of Agriculture, Universitas Kadiri, Kediri, INDONESIA. 5Biology Education Department, Faculty of Teacher Training and Education, Mulawarman University, Samarinda, INDONESIA. 6Department of Biology, Faculty of Sciences and Technology, Universitas Muhammadiyah Lamongan, Lamongan, INDONESIA. 7Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA. 8Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics (CAMPBIOTICS), Universitas Negeri Padang, Padang, INDONESIA. 9Department of Biology, Faculty of Mathematics and Natural Sciences Universitas Negeri Padang, Padang, INDONESIA. 10Department Mathematics Education, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, INDONESIA. 11Department of Information Technology, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA. 12Environmental Science, Postgraduate Programme, Universitas Negeri Padang, Padang, INDONESIA. 13Department of Radiology Engineering, Universitas Awal Bros, Pekanbaru, INDONESIA. 14Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, INDONESIA. 15Department of Statistics, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, INDONESIA. 16Professor Nidom Foundation, Surabaya, INDONESIA. 17Department of Scientific Research, Russian State Agrarian University - Moscow Timiryazev Agricultural Academy, Moscow, RUSSIAN FEDERATION 18Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, RUSSIAN FEDERATION 19Department of Scientific Research, K.G. Razumovsky Moscow State University of Technologies and Management (The First Cossack University), Moscow, RUSSIAN FEDERATION Abstract:The global COVID-19 pandemic caused by SARS-CoV-2 has been the resulted of massive human deaths since early 2020. The purpose of this study was to determine the potential of mangosteen (Garcinia mangostana L.) as an inhibitor of RBD spike, helicase, Mpro, and RdRp activity of SARS-CoV-2 with an in silico approach. The samples were obtained from PubChem and RCSB PDB. Analysis of the similarity of the drug was carried out with the Swiss ADME on the basis of Lipinski rule of five. Prediction of antivirus probabilities was carried out using PASS Online. Molecular screening was performed using PyRx through molecular docking. Discovery Studio was used for visualization. The bioactive compounds with the highest antiviral potential were indicated with the lowest binding affinity to the targeted proteins RBD spike, helicase, Mpro, and RdRp of SARS-CoV-2. The results indicated that mangiferin has the greatest potential as a potential antiviral. However, more research is required to validate the results of these computational predictions. Keywords:Antiviral agent, Garcinia mangostana L., in silico, SARS-CoV-2View:PDF (544.18 KB) PDF Images Graphical Abstract ‹ In Silico Study of Entry Inhibitor from Moringa oleifera Bioactive Compounds against SARS-CoV-2 Infection up The phytochemical and pharmacological activity of extract Kirinyuh (Chromolaena odorata L.) leaves: A Review ›