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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Bibliographic Details
Main Authors: 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
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2013-01-01
Series:PLoS ONE
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/24039693/pdf/?tool=EBI

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/24039693/pdf/?tool=EBI

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