Sinapic Acid Suppresses SARS CoV-2 Replication by Targeting Its Envelope Protein
| Autor: | Usama Ramadan Abdelmohsen, Mostafa E. Rateb, Mokhtar R. Gomaa, Ahmed M. Sayed, Mona Alonazi, Noura Mahrous, Raha Orfali, Ahmed Kandeil, Shagufta Perveen, Mohamed S. Gaballah, Hossam M. Hassan |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
0301 basic medicine
Microbiology (medical) In silico 030106 microbiology viral envelope protein SARS CoV-2 Biochemistry Microbiology Article 03 medical and health sciences Viral envelope Pharmacology (medical) sinapic acid General Pharmacology Toxicology and Pharmaceutics Cytotoxicity Structural motif IC50 molecular dynamic simulation Chemistry lcsh:RM1-950 COVID-19 In vitro lcsh:Therapeutics. Pharmacology 030104 developmental biology Infectious Diseases Viral replication Sinapic acid |
| Zdroj: | Antibiotics Volume 10 Issue 4 Antibiotics, Vol 10, Iss 420, p 420 (2021) |
| ISSN: | 2079-6382 |
| DOI: | 10.3390/antibiotics10040420 |
| Popis: | SARS CoV-2 is still considered a global health issue, and its threat keeps growing with the emergence of newly evolved strains. Despite the success in developing some vaccines as a protective measure, finding cost-effective treatments is urgent. Accordingly, we screened a number of phenolic natural compounds for their in vitro anti-SARS CoV-2 activity. We found sinapic acid (SA) selectively inhibited the viral replication in vitro with an half-maximal inhibitory concentration (IC50) value of 2.69 µg/mL with significantly low cytotoxicity (CC50 = 189.3 µg/mL). Subsequently, we virtually screened all currently available molecular targets using a multistep in silico protocol to find out the most probable molecular target that mediates this compound’s antiviral activity. As a result, the viral envelope protein (E-protein) was suggested as the most possible hit for SA. Further in-depth molecular dynamic simulation-based investigation revealed the essential structural features of SA antiviral activity and its binding mode with E-protein. The structural and experimental results presented in this study strongly recommend SA as a promising structural motif for anti-SARS CoV-2 agent development. |
| Databáze: | OpenAIRE |
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