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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Détails bibliographiques
Auteurs principaux: Oliferenko, Polina V., Oliferenko, Alexander A., Poda, Gennadiy I., Osolodkin, Dmitry I., Pillai, Girinath G., Bernier, Ulrich R., Tsikolia, Maia, Agramonte, Natasha M., Clark, Gary G., Linthicum, Kenneth J., Katritzky, Alan R.
Format: Artigo
Langue:Inglês
Publié: Public Library of Science 2013
Sujets:
Research Article
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3765160/
https://ncbi.nlm.nih.gov/pubmed/24039693
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0064547
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