Hanna, George S. and Choo, Yeun-Mun and Harbit, Ryan and Paeth, Heather and Wilde, Sarah and Mackle, James and Verga, Jacopo-Umberto and Wolf, Bethany J. and Thomas, Olivier P. and Croot, Peter and Cray, James and Thomas, Courtney and Li, Ling-Zhi and Hardiman, Gary and Hu, Jin-Feng and Wang, Xiaojuan and Patel, Dharmeshkumar and Schinazi, Raymond F. and O'Keefe, Barry R. and Hamann, Mark T. (2021) Contemporary approaches to the discovery and development of broad-spectrum natural product prototypes for the control of coronaviruses. Journal of Natural Products, 84 (11). pp. 3001-3007. ISSN 0163-3864, DOI https://doi.org/10.1021/acs.jnatprod.1c00625.
Full text not available from this repository.Abstract
The pressing need for SARS-CoV-2 controls has led to a reassessment of strategies to identify and develop natural product inhibitors of zoonotic, highly virulent, and rapidly emerging viruses. This review article addresses how contemporary approaches involving computational chemistry, natural product (NP) and protein databases, and mass spectrometry (MS) derived target-ligand interaction analysis can be utilized to expedite the interrogation of NP structures while minimizing the time and expense of extraction, purification, and screening in BioSafety Laboratories (BSL)3 laboratories. The unparalleled structural diversity and complexity of NPs is an extraordinary resource for the discovery and development of broad-spectrum inhibitors of viral genera, including Betacoronavirus, which contains MERS, SARS, SARS-CoV-2, and the common cold. There are two key technological advances that have created unique opportunities for the identification of NP prototypes with greater efficiency: (1) the application of structural databases for NPs and target proteins and (2) the application of modern MS techniques to assess protein-ligand interactions directly from NP extracts. These approaches, developed over years, now allow for the identification and isolation of unique antiviral ligands without the immediate need for BSL3 facilities. Overall, the goal is to improve the success rate of NP-based screening by focusing resources on source materials with a higher likelihood of success, while simultaneously providing opportunities for the discovery of novel ligands to selectively target proteins involved in viral infection.
| Item Type: | Article |
|---|---|
| Funders: | United States Department of Health & Human Services National Institutes of Health (NIH) - USA[1F31AT011158-01], South Carolina SmartState Program, Abney Foundation, United States Department of Health & Human Services National Institutes of Health (NIH) - USA[U54MD010706] |
| Uncontrolled Keywords: | Molecular networking;SARS-COV-2;Spike |
| Subjects: | Q Science > QD Chemistry R Medicine |
| Divisions: | Faculty of Science |
| Depositing User: | Ms Zaharah Ramly |
| Date Deposited: | 30 May 2022 06:52 |
| Last Modified: | 30 May 2022 06:52 |
| URI: | http://eprints.um.edu.my/id/eprint/34611 |
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