Unveiling the Antiviral Capabilities of Targeting Human Dihydroorotate Dehydrogenase against SARS-CoV-2.

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ID: 278365
2024
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Abstract
The urgent need for effective treatments against emerging viral diseases, driven by drug-resistant strains and new viral variants, remains critical. We focus on inhibiting the human dihydroorotate dehydrogenase (DHODH), one of the main enzymes responsible for pyrimidine nucleotide synthesis. This strategy could impede viral replication without provoking resistance. We evaluated naphthoquinone fragments, discovering potent DHODH inhibition with IC ranging from 48 to 684 nM, and promising anti-SARS-CoV-2 activity with EC ranging from 1.2 to 2.3 μM. These compounds exhibited low toxicity, indicating potential for further development. Additionally, we employed computational tools such as molecular docking and quantitative structure-activity relationship (QSAR) models to analyze protein-ligand interactions, revealing that these naphthoquinones exhibit a protein binding pattern similar to brequinar, a potent DHODH inhibitor. These findings represent a significant step forward in the search for effective antiviral treatments and have great potential to impact the development of new broad-spectrum antiviral drugs.
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purificaco2024unveilingacs Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Purificação, Aline D;Silva-Mendonça, Sabrina;Cruz, Luiza V;Sacramento, Carolina Q;Temerozo, Jairo R;Fintelman-Rodrigues, Natalia;de Freitas, Caroline Souza;Godoi, Bruna Fleck;Vaidergorn, Miguel Menezes;Leite, Juliana Almeida;Salazar Alvarez, Luis Carlos;Freitas, Murillo V;Silvac, Meryck F B;Martin, Bianca A;Lopez, Renata F V;Neves, Bruno J;Costa, Fabio T M;Souza, Thiago M L;da Silva Emery, Flavio;Andrade, Carolina Horta;Nonato, M Cristina;
Journal ACS omega
Year 2024
DOI
10.1021/acsomega.3c07845
URL
Keywords
mammary tumor biological compounds comparative oncology crotalus durissus terrificus venom

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