Research Paper on SARS-CoV-2 Main Protease Inhibitor Identification from a Library of Minor Cannabinoids by Surface Plasmon Resonance and Biochemical Inhibition Assay Specific Binding Affinity

Description

Title: SARS-CoV-2 Main Protease Inhibitor Identification from a Library of Minor Cannabinoids by Surface Plasmon Resonance and Biochemical Inhibition Assay Specific Binding Affinity

Abstract: The main protease (Mpro), which is a potential therapeutic target for coronavirus disease, mediates the replication of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) (COVID-19). Numerous in silico studies have suggested that natural products, such as cannabis and cannabinoids, may inhibit SARS-CoV-2 Mpro, but there is currently little biological experimental evidence to support these claims. Here, the anti-Mpro activity of a library of minor cannabinoids was assessed using a biochemical assay. These cannabinoids included tetrahydrocannabinols, cannabidiols, cannabigerols, cannabichromenes, cannabinodiols, cannabicyclols, cannabinols, and cannabitriols. Additionally, a biophysical method (surface plasmon resonance; SPR) and molecular docking were used to investigate the binding affinities and molecular interactions between the active cannabinoids and the Mpro protein. Tetrahydrocannabutol and cannabigerolic acid were the most potent Mpro inhibitors (IC50 values of 3.62 and 14.40 M, respectively; KD value of 2.16 104 M for cannabigerolic acid). The length of the alkyl side chain and cannabinoid decarboxylation both had an impact on the anti-Mpro effects of cannabinoids, according to a preliminary structure and activity relationship study. The results of biochemical, biophysical, and computational assays confirm the growing body of evidence for the inhibitory effects of cannabinoids on SARS-CoV-2 Mpro.

Keywords: SARS-CoV-2; COVID-19; main protease (Mpro); minor cannabinoids; decarboxylation; structure and activity relationship; surface plasmon resonance; binding

Paper Quality: SCOPUS / Web of Science Level Research Paper

Subject: Chemistry

Writer Experience: 20+ Years

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