Journal Article Review Epublish 15 citations
PubMed: 35890496 DOI: 10.3390/plants11141862
The Main Protease of SARS-CoV-2 as a Target for Phytochemicals against Coronavirus.
Plants (Basel) 11(14)
Authors: Shaza S Issa, Sofia V Sokornova, Roman R Zhidkin, Tatiana V Matveeva
Affiliations
- Department of Genetics and Biotechnology, St. Petersburg State University, 199034 St. Petersburg, Russia.
Abstract
In late December 2019, the first cases of COVID-19 emerged as an outbreak in Wuhan, China that later spread vastly around the world, evolving into a pandemic and one of the worst global health crises in modern history. The causative agent was identified as severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Although several vaccines were authorized for emergency use, constantly emerging new viral mutants and limited treatment options for COVID-19 drastically highlighted the need for developing an efficient treatment for this disease. One of the most important viral components to target for this purpose is the main protease of the coronavirus (Mpro). This enzyme is an excellent target for a potential drug, as it is essential for viral replication and has no closely related homologues in humans, making its inhibitors unlikely to be toxic. Our review describes a variety of approaches that could be applied in search of potential inhibitors among plant-derived compounds, including virtual in silico screening (a data-driven approach), which could be structure-based or fragment-guided, the classical approach of high-throughput screening, and antiviral activity cell-based assays. We will focus on several classes of compounds reported to be potential inhibitors of Mpro, including phenols and polyphenols, alkaloids, and terpenoids.
MeSH
Phytochemicals, Peptide Hydrolases, Cells, Phenols, Coronavirus, Sars Virus, Polyphenols, Covid-19, Sars-Cov-2
Cited by
- Antiviral and Immunomodulatory Activities of (Burm. f.) Lindau. Int J Mol Sci, 2023
- Unlocking the potential of phytochemicals in inhibiting SARS-CoV-2 M Pro protein - an in silico and cell-based approach. Sci Rep, 2025
- In silico Study of Antiviral Activity of Polyphenol Compounds from by Molecular Docking, ADMET, and Drug-Likeness Analysis. Adv Appl Bioinform Chem, 2023
- Biophysical Interpretation of Evolutionary Consequences on the SARS-CoV2 Main Protease through Molecular Dynamics Simulations and Network Topology Analysis. J Phys Chem B, 2023
- A network pharmacology and molecular docking approach in the exploratory investigation of the biological mechanisms of lagundi (Vitex negundo L.) compounds against COVID-19. Genomics Inform, 2023
- Correlation of Experimental and Calculated Inhibition Constants of Protease Inhibitor Complexes. Int J Mol Sci, 2024