@article {86, title = {Amentoflavone, New Hope against SARS-CoV-2: An Outlook through its Scientific Records and an in silico Study}, journal = {Pharmacognosy Research}, volume = {13}, year = {2021}, month = {June 2021}, pages = {149-157}, type = {Original Article}, chapter = {149}, 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 severe acute respiratory syndrome coronavirus (SARS-CoV) with an IC50 value of 8.3 μM. TMPRSS-2 activity is now thought to be the only factor necessary for cell entry and viral pathogenesis). In comparison, 3CLPRO is needed for COVID-19 replication and maturation during its life cycle. Aim: This study aims to perform an in silico study on amentoflavone activity against structural and non-structural severe acute respiratory syndrome coronavirus (SARS-CoV)-2 3-chymotrypsin-like protease (3CLPRO) and human transmembrane protease serine 2 (TMPRSS-2) proteins. Materials and Methods: Molecular docking studies were carried out using compounds against 3CLPRO and TMPRSS-2 proteins through the Swiss model, Uniport, PROCHECK, Swiss PDB viewer, PyMol, PyRx, and Desmond (Schr{\"o}dinger package) computerized software. Results: Amentoflavone showed strong interactions -9.5 and -7.4 kcal/mol with 3CLPRO and TMPRSS2 proteins, respectively. In any case, it had higher binding affinities than currently approved antiviral drugs, which are underutilized in coronavirus disease (COVID-19). Conclusion: Amentoflavone may be one of the potential leads (drug candidate) to fight human coronavirus, including SARS-CoV-2. Further in vivo studies are needed to support the findings of this study.

}, keywords = {3CLPRO, Amentoflavone, Antiviral potential, COVID-19, Molecular docking, Phenolic compounds, SARS-CoV-2, TMPRSS-2}, doi = {10.5530/pres.13.3.7}, author = {Rajib Hossain and Muhammad Torequl Islam and Pranta Ray and Divya Jain and Abu Saim Mohammad Saikat and Lutfun Nahar and Anupam Das Talukdar and Satyajit Sarker and Seyed Abdulmajid Ayatollahi and Miquel Martorell and Farzad Kobarfard and Nat{\'a}lia Cruz-Martins and Khattab Al-Khafaji and Anca Oana Docea and Daniela Calina} }