In silico studies identify potent plant metabolites capable of inhibiting SARS-CoV-2 Coronavirus Disease COVID Metabolites SARSCoV2 StructuralChemistry SpringerNature
By Dr. Priyom Bose, Ph.D.Oct 16 2022Reviewed by Benedette Cuffari, M.Sc. The continual emergence of new variants of the severe acute respiratory syndrome coronavirus 2 has been prolonging the coronavirus disease 2019 pandemic. These variants emerge due to the evolution of the SARS-CoV-2 genome.
To date, all available COVID-19 vaccines and therapeutics have been developed based on the spike protein of the ancestral SARS-CoV-2 strain. Unfortunately, these vaccines exhibit reduced efficacy against specific SARS-CoV-2 variants, such as the Omicron and Delta variants that contain mutations in the S region. As a result, scientists worldwide are still working to develop more effective vaccines and therapeutics to protect individuals from contracting SARS-CoV-2.
Unlike synthetic drugs, most plant-based products used for medicinal purposes exhibit minimal side effects. Therefore, plant metabolites could be a potent source for providing alternative therapy for SARS-CoV-2 infection. A recent Structural Chemistry journal study reviews the importance of in silico studies based on the binding efficacy of phytoconstituents against active sites of SARS-CoV-2.
Different phytochemicals exhibited varying binding effectiveness with SARS-CoV-2 targets. Interestingly, many bioactive phytochemicals demonstrated their efficacy in binding to numerous proteins. Similar binding energy was observed in some drugs approved by the United States Food and Drug Administration to treat COVID-19, including doxycycline, ivermectin, and azithromycin. This suggests that phytoconstituents could significantly contribute to the management of COVID-19; however, more preclinical and clinical studies are required to validate this finding.
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