Pipit Pitriani, Irene R. C. Prihastaningtyas, Suryanti Suryanti, Mochamad U. K. Agung, Yayat Dhahiyat, Rina F. Nuwarda, Fiddy S. Prasetiya
The Corona Virus Disease 19 (COVID-19) caused by Severe Acute Respiratory Syndrome Corona Virus 2 (SARS-CoV-2) was declared a global pandemic on March 11, 2020, and the number of cases is still growing. Antiviral drugs are needed for post-infection treatment. This study aims to determine microalgae compounds that can possibly be candidates for attachment inhibitors for SARS-CoV-2. The molecular docking method was used to determine the potential of microalgae metabolites based on the binding energy and the interaction of the compound with the H-ACE2 (Human Angiotensin Converting Enzyme II) receptor. The results showed that the three compounds with the lowest binding energy were Saringosterol (-10.76 kcal/mol), 24-Oxocholesterol acetate (-10.96 kcal/mol), and Dinosterol (-10.72 kcal/mol). These compounds had a lower binding energy value than the control ligand MLN-4760 (-8.02 kcal/mol). In addition, these three compounds can bind stably to the ACE2 binding site, as can be seen from the hydrogen bonds and hydrophobic interactions formed. Therefore, Saringosterol, 24-Oxocholesterol acetate, and Saringosterol merit further investigation regarding potential candidates for SARS-CoV-2 inhibitors. Additional study with molecular dynamics simulations and laboratory tests are needed to confirm this result. © 2022 School of Engineering, Taylor's University.
Department of Coaching, Faculty of Sports and Health Education, Universitas Pendidikan Indonesia, Jl. Dr. Setiabudi No. 299, Bandung, 40154, Indonesia; Marine Science Study Program, Faculty of Fisheries and Marine Science, Universitas Padjadjaran, Jl. Raya Bandung-Sumedang KM 21, Sumedang, 453631, Indonesia; Department of Aquatic Resources, Faculty of Fisheries and Marine Sciences, Universitas Diponegoro, Jl. Prof. H. Soedarto, S.H., Semarang, 50275, Indonesia; Department of Marine Sciences, Faculty of Fisheries and Marine Sciences, Universitas Padjadjaran, Jl. Raya Bandung Sumedang KM 21, Jatinangor, 45363, Indonesia; Department of Aquatic Resources Management, Faculty of Fisheries and Marine Sciences, Universitas Padjadjaran, Jl. Raya Bandung Sumedang KM 21, Jatinangor, 45363, Indonesia; Department of Pharmaceutical Analysis and Medicinal Chemistry, Faculty of Pharmacy, Universitas Padjadjaran, Jl. Raya Bandung Sumedang KM 21, Jatinangor, 45363, Indonesia; Research Center of Biotechnology and Bioinformatics, Universitas Padjadjaran, Jl. Singaperbangsa No. 2, Bandung, 40132, Indonesia
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