Author: Orfali, Raha; Rateb, Mostafa E.; Hassan, Hossam M.; Alonazi, Mona; Gomaa, Mokhtar R.; Mahrous, Noura; GabAllah, Mohamed; Kandeil, Ahmed; Perveen, Shagufta; Abdelmohsen, Usama Ramadan; Sayed, Ahmed M.
Title: Sinapic Acid Suppresses SARS CoV-2 Replication by Targeting Its Envelope Protein Cord-id: e2e2mn3w Document date: 2021_4_11
ID: e2e2mn3w
Snippet: 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 (IC(50)) value of 2
Document: 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 (IC(50)) value of 2.69 µg/mL with significantly low cytotoxicity (CC(50) = 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.
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