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, Devni Prima Sari, Muhammad Thoriq Albari, Devi Pernamasari, Muhammad Arya Ghifari, Muhammad Raffi Ghifari, Riso Sari Mandeli, Muhardi, Budhi Oktavia, Trisna Kumala Sari, Titi Sriwahyuni, Putri Azhari, Mirella Fonda Maahury, A.N.M. Ansori, Rahadian Zainul
The global pandemic of COVID-19 has caused disastrous consequences for both humans and the economy. The purpose of this study was to determine the potential of juwet (Syzygium cumini L.) and moringa (Moringa oleifera L.) as inhibitors of RBD spike, helicase, Mpro, and RdRp activity of SARS-CoV-2 with an in-silico approach. Samples were obtained from PubChem and RSCB PDB databases. The drug similarity analysis was determined using Swiss ADME and the Lipinski rule of five. Prediction of antivirus probabilities is carried out with PASS Online. Molecular screening is performed by molecular docking using PyRx. Visualization was used using PyMol and Discovery Studio. The bioactive compounds with the best antiviral potential had the lowest affinity bonds to the target proteins against RBD spike, helicase, Mpro, and RdRp of SARS-CoV-2. Results show that ellagic acid from java plum and myricetin from moringa have the best potential as potential antivirals. 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 Mathematics, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia; Department of Information Technology, Faculty of Computer Sciences, Universitas Brawijaya, Malang, Indonesia; Department of Radiology Engineering, Universitas Awal Bros, Pekanbaru, Indonesia; Environmental Science, Postgraduate Programme, Universitas Negeri Padang, Padang, Indonesia; STMIK Universitas Hang Tuah, Pekanbaru, Indonesia; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia; Department Electronic Engineering Education, Faculty of Engineering, Universitas Negeri Padang, Padang, Indonesia; Department of Agricultural Technology, Faculty of Agricultural Technology, Andalas University, Padang, Indonesia; Chemistry Department, Faculty Mathematics and Natural Sciences, Universitas Pattimura, Ambon, Indonesia; Nidom Foundation, Surabaya, Indonesia
