| Autor: |
ElNaggar, Mai H., Abdelwahab, Ghada M., Kutkat, Omnia, GabAllah, Mohamed, Ali, Mohamed A., El-Metwally, Mohamed E. A., Sayed, Ahmed M., Abdelmohsen, Usama Ramadan, Khalil, Ashraf T. |
| Zdroj: |
Marine Drugs; Mar2022, Vol. 20 Issue 3, p179-N.PAG, 13p |
| Abstrakt: |
Several natural products recovered from a marine-derived Aspergillus niger were tested for their inhibitory activity against SARS CoV-2 in vitro. Aurasperone A (3) was found to inhibit SARS CoV-2 efficiently (IC50 = 12.25 µM) with comparable activity with the positive control remdesivir (IC50 = 10.11 µM). Aurasperone A exerted minimal cytotoxicity on Vero E6 cells (CC50 = 32.36 mM, SI = 2641.5) and it was found to be much safer than remdesivir (CC50 = 415.22 µM, SI = 41.07). To putatively highlight its molecular target, aurasperone A was subjected to molecular docking against several key-viral protein targets followed by a series of molecular dynamics-based in silico experiments that suggested Mpro to be its primary viral protein target. More potent anti-SARS CoV-2 Mpro inhibitors can be developed according to our findings presented in the present investigation. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
