Viol Dhea Kharisma, Arif Nur Muhammad Ansori, Farida Aryani Dian, Wahyu Choirur Rizky, Tim Godefridus Antonius Dings, Rahadian Zainul, Alexander Patera Nugraha
A massive transmission of SARS-CoV-2, which happens particularly in developing countries has continuously triggered a COVID-19 tsunami and may genuinely increase the mortality number. The significant mortality rate caused by the SARS-CoV-2 pandemic has made it a major world problem. Viral infectivity could arise from the lack of information on the specific antiviral drug. Tamarindus indica has been proven to be a potential antiviral through in vivo research as it decreases viral load in animal viruses. Nevertheless, at the preliminary stage, evidence-based approach like in silico study is necessitated to evaluate its potential as an antiviral in humans. This study screened the content of the active compounds of Tamarindus indica and identified its potential as an antiviral toward SARS-CoV-2 through an entry inhibitor mechanism using bioinformatics tools. Sample retrieval was carried out in the database, then the sample was identified for drug-likeness on the server. Likewise, molecular docking and dynamic simulations were carried out on the identified bioactive compounds. The results showed that all the bioactive compounds possess drug-like molecules and β-sitosterol has the most negative binding affinity. Tamarindus indica is predicted to be an antiviral candidate for SARS-CoV-2 with an entry inhibitor mechanism through a compound, specifically called β-sitosterol. © 2021. All Rights Reserved.
Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, Malang, Indonesia; Computational Virology and Complexity Science Research Unit, Division of Molecular Biology and Genetics, Generasi Biologi Indonesia Foundation, Gresik, Indonesia; Doctoral Program in Veterinary Science, Faculty of Veterinary Medicine, Universitas Airlangga, Surabaya, Indonesia; Department of Biochemistry and Biotechnology, Faculty of Agronomy, Horticulture and Bioengineering, Poznan University of Life Sciences, Poznan, Poland; College of Medicine, Sulaiman Al Rajhi University, Al Bukayriyah, Qassim, Saudi Arabia; College of Medicine, Maastricht University, Maastricht, Netherlands; Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Negeri Padang, Padang, Indonesia; Department of Orthodontic, Faculty of Dental Medicine, Universitas Airlangga, Surabaya, Indonesia
