Promising Aedes aegypti repellent chemotypes identified through integrated QSAR, virtual screening, synthesis, and bioassay.

Promising Aedes aegypti repellent chemotypes identified through integrated QSAR, virtual screening, synthesis, and bioassay.

Molecular field topology analysis, scaffold hopping, and molecular docking were used as complementary computational tools for the design of repellents for Aedes aegypti, the insect vector for yellow fever, chikungunya, and dengue fever. A large number of analogues were evaluated by virtual screening...

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Autores principales: Polina V Oliferenko, Alexander A Oliferenko, Gennadiy I Poda, Dmitry I Osolodkin, Girinath G Pillai, Ulrich R Bernier, Maia Tsikolia, Natasha M Agramonte, Gary G Clark, Kenneth J Linthicum, Alan R Katritzky
Formato: article
Lenguaje:EN
Publicado: Public Library of Science (PLoS) 2013
Materias:
Medicine
R
Science
Q
Acceso en línea:https://doaj.org/article/d3ae8926af0647a787359b8f4ec26d5f
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https://doaj.org/article/d3ae8926af0647a787359b8f4ec26d5f

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