INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
QSAR study on potential natural insecticidal compounds against Chikungunya and Zika vector Aedes aegypti (Diptera:Culicidae)
Autor/es:
SAAVEDRA, L. M.; DUCHOWICZ, P. R.; ROZO, C. E.; ROMANELLI, G. P.
Revista:
THE SCIENCE OF TOTAL ENVIRONMENT
Editorial:
Elsevier
Referencias:
Año: 2018 vol. 610 p. 937 - 943
ISSN:
0048-9697
Resumen:
The insecticidal activity of a series of 62 plant derived molecules against the chikungunya, dengue and zika vector, the Aedes aegypti (Diptera:Culicidae) mosquito, is subjected to a Quantitative Structure-Activity Relationships(QSAR) analysis. The Replacement Method (RM) variable subset selection technique based on Multivariable Linear Regression (MLR) proves to be successful for exploring 4885 molecular descriptors calculated with Dragon 6. The predictive capability of the obtained models is confirmed through an external test set of compounds, Leave-One-Out (LOO) cross-validation and Y-Randomization. The present study constitutes a first necessary computational step for designing less toxic insecticides.
