Combination of GC-MS Molecular Networking and Larvicidal Effect against Aedes aegypti for the Discovery of Bioactive Substances in Commercial Essential Oils

Molecules

Lorena C. Albernaz¹  Laila S. Espindola¹  Ricardo R. Silva²  Alan Cesar Pilon²  Norberto Peporine Lopes²  Paulo Cézar Vieira²  João Luis Callegari Lopes²  Marcelo Del Grande²  Maíra R. S. Silvério² 

[1] Laboratório de Farmacognosia, Campus Universitário Darcy Ribeiro, Universidade de Brasília, Brasília 70910-900, Brazil;Núcleo de Pesquisa em Produtos Naturais e Sintéticos (NPPNS), Departamento de Ciências Biomoleculares, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Universidade de São Paulo—USP, Ribeirão Preto 14040-903, Brazil;

关键词: dengue;    essential oils;    large datasets;    molecular networking;    larvicidal activity;   

DOI  :  10.3390/molecules27051588

来源: DOAJ

【 摘 要 】

Dengue is a neglected disease, present mainly in tropical countries, with more than 5.2 million cases reported in 2019. Vector control remains the most effective protective measure against dengue and other arboviruses. Synthetic insecticides based on organophosphates, pyrethroids, carbamates, neonicotinoids and oxadiazines are unattractive due to their high degree of toxicity to humans, animals and the environment. Conversely, natural-product-based larvicides/insecticides, such as essential oils, present high efficiency, low environmental toxicity and can be easily scaled up for industrial processes. However, essential oils are highly complex and require modern analytical and computational approaches to streamline the identification of bioactive substances. This study combined the GC-MS spectral similarity network approach with larvicidal assays as a new strategy for the discovery of potential bioactive substances in complex biological samples, enabling the systematic and simultaneous annotation of substances in 20 essential oils through LC₅₀ larvicidal assays. This strategy allowed rapid intuitive discovery of distribution patterns between families and metabolic classes in clusters, and the prediction of larvicidal properties of acyclic monoterpene derivatives, including citral, neral, citronellal and citronellol, and their acetate forms (LC₅₀ < 50 µg/mL).

【 授权许可】

Unknown