In silico testing of flavonoids as potential inhibitors of protease and helicase domains of dengue and Zika viruses

• Published in: PeerJ (San Francisco, CA) Vol. 10; p. e13650
• Main Authors: Cruz-Arreola, Omar, Orduña-Diaz, Abdu, Domínguez, Fabiola, Reyes-Leyva, Julio, Vallejo-Ruiz, Verónica, Domínguez-Ramírez, Lenin, Santos-López, Gerardo
• Format: Journal Article
• Language: English
• Published: United States PeerJ. Ltd 04.08.2022; PeerJ, Inc; PeerJ Inc
• Subjects: Analysis; Antiviral agents; Binding sites; Bioinformatics; Biotechnology; Computational Biology; Dengue - drug therapy; Dengue fever; Dengue virus; Dengue Virus - chemistry; Dengue viruses; DNA helicase; Drug development; Enzyme kinetics; Epidemics; Fetuses; Flavonoids; Flavonoids - pharmacology; Genomes; Guillain-Barre syndrome; Health aspects; Humans; Isoflavones; Ligands; Medicinal plants; Medicine, Botanic; Medicine, Herbal; Microencephaly; MMGBSA; Molecular Biology; Molecular docking; Molecular Docking Simulation; Molecular dynamics; Nausea; NS3-helicase; NS3-protease; Pain; Peptide Hydrolases - chemistry; Proteases; Proteinase; Proteinase inhibitors; Proteins; Quercetin; Quercetin - pharmacology; Serine Endopeptidases - chemistry; Serotypes; Vaccines; Vector-borne diseases; Virology; Viruses; Vomiting; Zika virus; Zika Virus - metabolism; Zika Virus Infection - drug therapy; Poland; Europe; Africa; Biotechnology; NS3-protease; NS3-helicase; MMGBSA; Dengue virus; Molecular docking

Dengue and Zika are two major vector-borne diseases. Dengue causes up to 25,000 deaths and nearly a 100 million cases worldwide per year, while the incidence of Zika has increased in recent years. Although Zika has been associated to fetal microcephaly and Guillain-Barré syndrome both it and dengue...