The Computational Analysis of Antiviral Activity Moringa oleifera Bioactive Compounds Against SARS-CoV-2 Main Protease (Mpro)
Artika Muliany Tindaon1, Hendra Susanto1,2, Wira Eka Putra1,2

1 Department of Biology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Malang, Indonesia 65145
2 Department of Biotechnology, Faculty of Mathematics and Natural Sciences, Universitas Negeri Malang, Malang, Indonesia 65145

Abstract

COVID-19 is a pandemic disease that spreads worldwide caused by the SARS-CoV-2 virus, with a high mortality rate. Indonesia is one of the South East Asia countries facing a severe condition affected by COVID-19. Importantly, Indonesia also has tremendous biodiversity of medicinal plants that have pharmacological properties against viral infection, including Moringa oleifera. This in silico study aims to determine the potential of the bioactive compound within Moringa oleifera against the Main protease (Mpro) protein using molecular docking and the interactions produced by the protein-ligand complex. Notably, the results showed that the three bioactive compounds (N-benzyl, O-Ethyl-4-carbamate, and Genistein) had lower affinity values than control compound (Arbidol). The interactions were dominated by hydrophobic interactions. Hence, the protein-ligand complex formed on the Mpro protein was thought to have the opportunity interfere with the structure and function of Mpro SARS-CoV-2

Keywords: Moringa olleifera- SARCOV2- Mpro protein

Topic: Bioinformatics