PreprintArticleVersion 1This version is not peer-reviewed
Antivirals for Yellow Fever: Bioassay-Guided Fractionation of Hippeastrum puniceum Bulb Extract with Inhibitory Activity against Wild-Type Yellow Fever Virus and In Silico ADMET Prediction of the Annotated Natural Compounds
Version 1
: Received: 19 July 2024 / Approved: 22 July 2024 / Online: 22 July 2024 (11:56:36 CEST)
How to cite:
Flores-Souza, E.; Caldeira, A. S. P.; Pacca Mazaro, C. C.; Miguel-de Souza, T. V.; Acácio, T. M.; Barbosa, E. D. C.; Pires, D. E. V.; Tavares, N. C.; Calzavara-Silva, C. E.; Zani, C. L.; de Oliveira, J. G.; Alves, T. M. A. Antivirals for Yellow Fever: Bioassay-Guided Fractionation of Hippeastrum puniceum Bulb Extract with Inhibitory Activity against Wild-Type Yellow Fever Virus and In Silico ADMET Prediction of the Annotated Natural Compounds. Preprints2024, 2024071704. https://doi.org/10.20944/preprints202407.1704.v1
Flores-Souza, E.; Caldeira, A. S. P.; Pacca Mazaro, C. C.; Miguel-de Souza, T. V.; Acácio, T. M.; Barbosa, E. D. C.; Pires, D. E. V.; Tavares, N. C.; Calzavara-Silva, C. E.; Zani, C. L.; de Oliveira, J. G.; Alves, T. M. A. Antivirals for Yellow Fever: Bioassay-Guided Fractionation of Hippeastrum puniceum Bulb Extract with Inhibitory Activity against Wild-Type Yellow Fever Virus and In Silico ADMET Prediction of the Annotated Natural Compounds. Preprints 2024, 2024071704. https://doi.org/10.20944/preprints202407.1704.v1
Flores-Souza, E.; Caldeira, A. S. P.; Pacca Mazaro, C. C.; Miguel-de Souza, T. V.; Acácio, T. M.; Barbosa, E. D. C.; Pires, D. E. V.; Tavares, N. C.; Calzavara-Silva, C. E.; Zani, C. L.; de Oliveira, J. G.; Alves, T. M. A. Antivirals for Yellow Fever: Bioassay-Guided Fractionation of Hippeastrum puniceum Bulb Extract with Inhibitory Activity against Wild-Type Yellow Fever Virus and In Silico ADMET Prediction of the Annotated Natural Compounds. Preprints2024, 2024071704. https://doi.org/10.20944/preprints202407.1704.v1
APA Style
Flores-Souza, E., Caldeira, A. S. P., Pacca Mazaro, C. C., Miguel-de Souza, T. V., Acácio, T. M., Barbosa, E. D. C., Pires, D. E. V., Tavares, N. C., Calzavara-Silva, C. E., Zani, C. L., de Oliveira, J. G., & Alves, T. M. A. (2024). Antivirals for Yellow Fever: Bioassay-Guided Fractionation of Hippeastrum puniceum Bulb Extract with Inhibitory Activity against Wild-Type Yellow Fever Virus and In Silico ADMET Prediction of the Annotated Natural Compounds. Preprints. https://doi.org/10.20944/preprints202407.1704.v1
Chicago/Turabian Style
Flores-Souza, E., Jaquelline Germano de Oliveira and Tania Maria Almeida Alves. 2024 "Antivirals for Yellow Fever: Bioassay-Guided Fractionation of Hippeastrum puniceum Bulb Extract with Inhibitory Activity against Wild-Type Yellow Fever Virus and In Silico ADMET Prediction of the Annotated Natural Compounds" Preprints. https://doi.org/10.20944/preprints202407.1704.v1
Abstract
Despite effective vaccines, yellow fever outbreaks persist, increasing the urgency to find antivirals for patient treatment. This study aimed to discover compounds with potential antiviral properties against the wild-type yellow fever virus (wt-YFV) in Hippeastrum puniceum, of the Amaryllidaceae family, through bioassay-guided fractionation of the crude bulb extract using ultra-high-performance liquid chromatography (UHPLC) coupled with high-resolution ESI-QTOF mass spectrometry and subsequent analysis of the pharmacokinetic and toxicological properties (ADMET) of the annotated compounds. In the active fractions against wt-YFV, six alkaloids were proposed such as bulbisine, cathinone, trigonelline, tetrahydroharman-3-carboxylic acid, and 2,7-dimethoxyhomolycorine (or 3-O-acetylnarcissidine). Co-occurring in these fractions were the amino acids arginine, asparagine, tryptophan, and glutamic acid. In silico ADMET analysis of the alkaloids predicted good absorption, distribution, excretion, favorable metabolization profiles, and non-mutagenic toxicity, indicating their potential for drug development. These findings justify further in vitro assessment of the compounds against YFV and in vivo testing in animal models. This strategy seems to be an efficient approach for discovering antiviral compounds against YFV. Such discoveries hold promise not only in combating YFV but also in addressing a spectrum of other flaviviruses.
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
