Nur 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, A.N.M. Ansori, Maksim Rebezov, Rahadian Zainul
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. © 2022 Phcogj.Com.
Faculty of Mathematics and Natural Sciences, State University of Surabaya, Surabaya, Indonesia; Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Brawijaya University, Malang, Indonesia; Faculty of Agriculture, Universitas Kadiri, Kediri, Indonesia; Biology Education Department, Faculty of Teacher Training and Education, Mulawarman University, Samarinda, Indonesia; Department of Biology, Faculty of Sciences and Technology, Universitas Muhammadiyah Lamongan, Lamongan, Indonesia; Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, India; Center for Advanced Material Processing, Artificial Intelligence, and Biophysic Informatics, Universitas Negeri Padang, Padang, Indonesia; Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia; Department Mathematics Education, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia; Department of Information Technology, Faculty of Computer Sciences, Universitas Brawijaya, Malang, Indonesia; Environmental Science, Postgraduate Programme, Universitas Negeri Padang, Padang, Indonesia; Department of Radiology Engineering, Universitas Awal Bros, Pekanbaru, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia; Department of Statistics, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia; Professor Nidom Foundation, Surabaya, Indonesia; Department of Scientific Research, Russian State Agrarian University, Moscow Timiryazev Agricultural Academy, Moscow, Russian Federation; Faculty of Biotechnology and Food Engineering, Ural State Agrarian University, Yekaterinburg, Russian Federation; Department of Scientific Research, K.G. Razumovsky Moscow State University of Technologies and Management, The First Cossack University, Moscow, Russian Federation
