Article ; Online: Informatics and Computational Approaches for the Discovery and Optimization of Natural Product-Inspired Inhibitors of the SARS-CoV-2 2'-
2024 Volume 87, Issue 2, Page(s) 217–227
Abstract: The urgent need for new classes of orally available, safe, and effective antivirals─covering a breadth of emerging viruses─is evidenced by the loss of life and economic challenges created by the HIV-1 and SARS-CoV-2 pandemics. As frontline interventions, ...
Abstract | The urgent need for new classes of orally available, safe, and effective antivirals─covering a breadth of emerging viruses─is evidenced by the loss of life and economic challenges created by the HIV-1 and SARS-CoV-2 pandemics. As frontline interventions, small-molecule antivirals can be deployed prophylactically or postinfection to control the initial spread of outbreaks by reducing transmissibility and symptom severity. Natural products have an impressive track record of success as prototypic antivirals and continue to provide new drugs through synthesis, medicinal chemistry, and optimization decades after discovery. Here, we demonstrate an approach using computational analysis typically used for rational drug design to identify and develop natural product-inspired antivirals. This was done with the goal of identifying natural product prototypes to aid the effort of progressing toward safe, effective, and affordable broad-spectrum inhibitors of |
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MeSH term(s) | Humans ; SARS-CoV-2 ; COVID-19 ; Biological Products/pharmacology ; Informatics ; Antiviral Agents/pharmacology |
Chemical Substances | Biological Products ; Antiviral Agents |
Language | English |
Publishing date | 2024-01-19 |
Publishing country | United States |
Document type | Journal Article ; Research Support, N.I.H., Extramural |
ZDB-ID | 304325-3 |
ISSN | 1520-6025 ; 0163-3864 |
ISSN (online) | 1520-6025 |
ISSN | 0163-3864 |
DOI | 10.1021/acs.jnatprod.3c00875 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
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