ArticleViewAbstractPharmacognosy Journal,2022,14,5,565-574.DOI:10.5530/pj.2022.14.137Published:October 2022Type:Research ArticleIn Silico Study of Entry Inhibitor from Moringa oleifera Bioactive Compounds against SARS-CoV-2 InfectionNala Mawaddani, Ekris Sutiyanti, Muhammad Hermawan Widyananda, Viol Dhea Kharisma, Dora Dayu Rahma Turista, Muhammad Badrut Tamam, Vikash Jakhmola, Syamsurizal, Bayu Ramadhani Fajri, Muhammad Raffi Ghifari, Muhammad Thoriq Albari, Muhammad Arya Ghifari, Amalia Putri Lubis, Dony Novaliendry, Dwi Hilda Putri, Fadhilah Fitri, Devni Prima Sari, Alexander Patera Nugraha, ANM Ansori, Maksim Rebezov, and Rahadian Zainul Nala Mawaddani1, Ekris Sutiyanti2, Muhammad Hermawan Widyananda1, Viol Dhea Kharisma3, Dora Dayu Rahma Turista4, Muhammad Badrut Tamam5, Vikash Jakhmola6, Syamsurizal7,8, Bayu Ramadhani Fajri7,9, Muhammad Raffi Ghifari7,10, Muhammad Thoriq Albari7,10, Muhammad Arya Ghifari7,10, Amalia Putri Lubis7,11, Dony Novaliendry7,12, Dwi Hilda Putri7,8, Fadhilah Fitri7,13, Devni Prima Sari7,14, Alexander Patera Nugraha15, ANM Ansori16 , Maksim Rebezov17,18,19, Rahadian Zainul7,11,* 1Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, INDONESIA. 2Department of Tropical Biology, Faculty of Biology, Universitas Gadjah Mada, Yogyakarta, INDONESIA 3Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, INDONESIA. 4Biology Education Department, Faculty of Teacher Training and Education, Mulawarman University, Samarinda, INDONESIA. 5Department of Biology, Faculty of Sciences and Technology, Universitas Muhammadiyah Lamongan, Lamongan, INDONESIA. 6Uttaranchal Institute of Pharmaceutical Sciences, Uttaranchal University, Dehradun, INDIA. 7Center for Advanced Material Processing, Artificial Intelligence, and Biophysics Informatics (CAMP-BIOTICS), Universitas Negeri Padang, Padang, INDONESIA. 8Department of Biology, Faculty of Mathematics and Natural Sciences Universitas Negeri Padang, Padang, INDONESIA. 9Information Technology, Dapartement of Electronic, Faculty of Engineering, Universitas Negeri Padang, Padang, INDONESIA. 10Department of Information Technology, Faculty of Computer Sciences, Universitas Brawijaya, Malang, INDONESIA. 11Department of Chemistry, Faculty of Mathematics and Natural Sciences Universitas Negeri Padang, Padang, INDONESIA. 12Program Study Informatics, Faculty of Engineering, Universitas Negeri Padang, Padang, INDONESIA. 13Department of Statistics, Faculty of Mathematics and Natural Sciences Universitas Negeri Padang, Padang, INDONESIA. 14Department of Mathematics, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, INDONESIA. 15Department of Orthodontics, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, 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 aim of this study is to screen the content of bioactive compounds of Moringa oleifera and to identify its potential as an antiviral against COVID 19 through an entry inhibitor mechanism using bioinformatics tools. The sample was obtained from PubChem database. Amino acis sequences were obtained from the NCBI. Protein modeling is made through the SWISSMODEL site. The target proteins for this study were SARS-CoV-2 Mpro and RdRp. The protein-inhibitory interaction of the drug from M. oleifera bioactive compounds to SARS-CoV-2 was predicted by molecular docking with PyRx software. The result shows that M. oleifera was a potential antiviral candidate for SARS-CoV-2 with an entry inhibitor mechanism through a compound, especially quercetin. The RFMS value of both interactions between Mpro and quercetion and RdRp with quercetin were not higher than 1.05. This result still needed further research to prove this prediction. Keywords:Active site, COVID-19, Moringa oleifera, Mpro, RdRpView:PDF (1.58 MB) PDF Images Visualization of molecular dynamic simulation results. (A) RMSF of Mpro-Apigenin, (B) RMSF of Mpro-Quercetin. ‹ The Potential Effect of Silymarin Against Paracetamol-Induced Hepatotoxicity in Male Albino Rats up In Silico Screening of Bioactive Compounds from Garcinia mangostana L. Against SARS-CoV-2 via Tetra Inhibitors ›