Amentoflavone, New Hope against SARS-CoV-2: An Outlook through its Scientific Records and an in silico Study

Pharmacognosy Research,2021,13,3,149-157.DOI:10.5530/pres.13.3.7Published:June 2021Type:Original ArticleAuthors:Rajib Hossain, Muhammad Torequl Islam, Pranta Ray, Divya Jain, Abu Saim Mohammad Saikat, Lutfun Nahar, Anupam Das Talukdar, Satyajit Sarker, Seyed Abdulmajid Ayatollahi, Miquel Martorell, Farzad Kobarfard, Natália Cruz-Martins, Khattab Al-Khafaji, Anca Oana Docea, and Daniela Calina Author(s) affiliations:Rajib Hossain1, Islam1, Ray2, Jain3, Saikat4, Nahar5, Talukdar6, Sarker7, Ayatollahi8,9, Martorell10, Kobarfard8,11, Cruz-Martins12,13,14, Al-Khafaji15, Docea16, Calina17, Javad Sharifi-Rad8,18,* 1Department of Pharmacy, Life Science Faculty, Bangabandhu Sheikh Mujibur Rahman Technology University, Gopalganj, Dhaka, BANGLADESH. 2Department Biomedical Engineering, Huazhong University Technology, Wuhan, CHINA. 3Department Bioscience Biotechnology, Banasthali Vidyapith, Rajasthan, INDIA. 4Department Biochemistry Molecular Biology, 5Faculty Science, Liverpool John Moores L33AF, England, UK. 6Ethnobotany Natural product Research Laboratory, Department Bioinformatics, Assam Silchar-11, Assam, India. 7School Pharmacy Biomolecular Sciences, L3 3AF, 8Phytochemistry Center, Shahid Beheshti Medical Tehran, IRAN. 9Department School 10Department Nutrition Dietetics, Faculty Centre for Healthy Living, Concepción, CHILE. 11Department Medicinal Chemistry, 12Faculty Medicine, Porto, Alameda Professor Hernâni Monteiro, PORTUGAL. 13Institute Innovation in Health (i3S), 14Laboratory Neuropsychophysiology, Psychology Education 15Graduate Applied Gaziantep Gaziantep, TURKEY. 16Department Toxicology, Medicine Craiova, ROMANIA. 17Department Clinical 18Facultad de Medicina, Universidad del Azuay, Cuenca, ECUADOR. Abstract:Background: The plant-derived bioflavonoid amentoflavone has many important biological activities, among them remarkable antiviral effects, even against severe acute respiratory syndrome Coronavirus (SARS-CoV). It inhibits coronavirus (SARS-CoV) with an IC50 value 8.3 μM. TMPRSS-2 activity is now thought to be the only factor necessary cell entry viral pathogenesis). In comparison, 3CLPRO needed COVID-19 replication maturation during its life cycle. Aim: This study aims perform silico on structural non-structural (SARS-CoV)-2 3-chymotrypsin-like protease (3CLPRO) human transmembrane serine 2 (TMPRSS-2) proteins. Materials Methods: docking studies were carried out using compounds proteins through Swiss model, Uniport, PROCHECK, PDB viewer, PyMol, PyRx, Desmond (Schrödinger package) computerized software. Results: Amentoflavone showed strong interactions -9.5 -7.4 kcal/mol TMPRSS2 proteins, respectively. any case, it had higher binding affinities than currently approved drugs, which are underutilized disease (COVID-19). Conclusion: may one potential leads (drug candidate) fight coronavirus, including SARS-CoV-2. Further vivo support findings this study. Keywords:3CLPRO, Amentoflavone, Antiviral potential, COVID-19, docking, Phenolic compounds, SARS-CoV-2, TMPRSS-2View:PDF (895.99 KB)