Sinapic Acid Suppresses SARS CoV-2 Replication by Targeting Its Envelope Protein.

Area of Science:

• Virology
• Drug Discovery
• Computational Chemistry

Background:

• Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) remains a global health concern, with evolving strains necessitating new therapeutic strategies.
• Existing vaccines offer protection, but the urgent need for accessible and cost-effective treatments persists.
• Natural compounds represent a viable source for identifying novel antiviral agents.

Purpose of the Study:

• To screen natural phenolic compounds for in vitro anti-SARS-CoV-2 activity.
• To identify the molecular target of sinapic acid (SA) against SARS-CoV-2 using in silico methods.
• To elucidate the binding mechanism of SA with its target through molecular dynamics simulations.

Main Methods:

• In vitro screening of phenolic compounds against SARS-CoV-2.
• Computational screening of viral molecular targets.
• Molecular dynamics simulations to analyze compound-target interactions.

Main Results:

• Sinapic acid (SA) demonstrated selective inhibition of SARS-CoV-2 replication in vitro (IC50 = 2.69 µg/mL) with low cytotoxicity (CC50 = 189.3 µg/mL).
• In silico analysis identified the viral envelope protein (E-protein) as the most probable molecular target for SA.
• Molecular dynamics simulations confirmed SA's binding mode and highlighted key structural features contributing to its antiviral activity.

Conclusions:

• Sinapic acid is a promising candidate for developing new anti-SARS-CoV-2 agents.
• Targeting the viral E-protein with SA represents a potential therapeutic strategy.
• Further research into SA-based compounds could lead to effective treatments against SARS-CoV-2.