Title : Repurposing the natural compounds as potential therapeutic agents for COVID-19 based on the molecular docking study of the main protease and the receptor-binding domain of spike protein.

Pub. Date : 2022 May 16

PMID : 35578055

1 Functional Relationships(s)
Compound Name
Protein Name
1 The strong and stable binding of these safe and cheap vitamins at the important residues (R403, K417, Y449, Y453, N501, and Y505) in the S-protein-ACE2 interface and 3CLpro binding site residues especially active site residues (His 41 and Cys 145), indicating that they could be valuable repurpose drugs for inhibiting SARS-CoV-2 entry into the host and replication. Cysteine surface glycoprotein Severe acute respiratory syndrome coronavirus 2