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As the fight against SARS-CoV-2 remains undefeated despite available vaccines, continuous efforts to curtail this deadly and highly spreading virus remain a world priority. In this research, we have investigated the antiviral properties of the phytochemicals from  Annona muricata  (Sour Sop) as potential inhibitors of SARS-CoV-2 main protease (M pro ) and Spike Receptor Protein. Pharmacokinetic analyses such as  in-silico ADME, drug-likeness, PASS prediction, oral-bioavailability and bioactivity were carried out to screen the phytochemicals, 9 out of the 131 ligands satisfied the screening. A molecular docking approach was used to obtain the binding energies of the 9 ligands, and the result showed that Roseoside (−7.50 kcal/mol) and Coreximine (−7.0 kcal/mol) displayed the best docking score and have predicted to have stable interactions with SARS-CoV-2 main protease and Spike Glycoprotein. Data from this study could be further explored in developing multi-target drugs against SARS-CoV-2.

physical sciences reviews

Phytochemicals from  Annona muricata  (Sour Sop) as potential inhibitors of SARS-CoV-2 main protease (M pro ) and spike receptor protein: a structure-based drug design studies and chemoinformatics analyses