The quantitative structure–insecticidal activity relationships from plant derived compounds against chikungunya and zika aedes aegypti (Diptera:Culicidae) vector
dc.contributor.author | Saavedra, Laura M. | spa |
dc.contributor.author | Romanelli, Gustavo P. | spa |
dc.contributor.author | Rozo, Ciro E. | spa |
dc.contributor.author | Duchowicz, Pablo R. | spa |
dc.coverage.campus | CRAI-USTA Bogotá | spa |
dc.date.accessioned | 2019-06-06T21:10:23Z | spa |
dc.date.available | 2019-06-06T21:10:23Z | spa |
dc.date.issued | 2018-01-01 | spa |
dc.description.abstract | The insecticidal activity of a series of 62 plant derivedmolecules 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 calculatedwith 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. | spa |
dc.description.domain | http://unidadinvestigacion.usta.edu.co | spa |
dc.format.mimetype | application/pdf | spa |
dc.identifier.citation | Saavedra, L. M., Romanelli, G. P., Rozo, C. E., & Duchowicz, P. R. (2018). The quantitative structure–insecticidal activity relationships from plant derived compounds against chikungunya and zika aedes aegypti (diptera:Culicidae) vector. Bogotá: doi:10.1016/j.scitotenv.2017.08.119 | spa |
dc.identifier.doi | https://doi.org/10.1016/j.scitotenv.2017.08.119 | spa |
dc.identifier.uri | http://hdl.handle.net/11634/17049 | |
dc.relation.references | Barbosa, J.D.F., Silva, V.B., Alves, P.B., Gumina, G., Santos, R.L.C., Sousa, D.P., Cavalcantia, S.C.H., 2012. Structure–activity relationships of eugenol derivatives against Aedes aegypti (Diptera: Culicidae) larvae. Pest Manag. Sci. 68, 1478–1483. | spa |
dc.relation.references | Carrasco, H., Raimondi, M., Svetaz, L., Di Liberto, M., Rodriguez, M.V., Espinoza, L., Madrid, A., Zacchino, S., 2012. Antifungal activity of eugenol analogues. Influence of different substituents and studies on mechanism of action. Molecules 17, 1002–1024. | spa |
dc.relation.references | Duchowicz, P.R., Castro, E.A., Fernández, F.M., González, M.P., 2005. A new search algorithm of QSPR/QSAR theories: normal boiling points of some organic molecules. Chem. Phys. Lett. 412, 376–380. | spa |
dc.relation.references | Environment Protection Agency- EPA; U. E. P. A N,N-Diethyl-m-toluamide (DEET). 1980, 1, 12–32. | spa |
dc.relation.references | Gillij, Y. G.; Gleiser, R. M.; Zygadlo, J. A., Mosquito repellent activity of essential oils of aromatic plants growing in Argentina. Bioresour. Technol. 2008, 99. 2507–2515. | spa |
dc.relation.references | Golbraikh, A., Shen, M., Xiao, Z., Xiao, Y.D., Lee, K.H., Tropsha, A., 2003. Rational selection of training and test sets for the development of validated QSAR models. J. Comput. Aided Mol. Des. 17, 241–253. | spa |
dc.relation.references | Hansch, C., Leo, A., 1995. Exploring QSAR. Fundamentals and Applications in Chemistry and Biology. American Chemical Society, Washington, D. C. | spa |
dc.relation.references | HyperChem 7 Hypercube. Inc. URL (http://www.hyper.com). | spa |
dc.relation.references | Ibezim, E., Duchowicz, P.R., Ortiz, E.V., Castro, E.A., 2012. QSAR on aryl-piperazine derivatives with activity on malaria. Chemom. Intell. Lab. Syst. 110, 81–88. | spa |
dc.relation.references | Katritzky, A.R., Lobanov, V.S., Karelson, M., 1995. QSPR: the correlation and quantitative prediction of chemical and physical properties from structure. Chem. Soc. Rev. 24, 279–287. | spa |
dc.relation.references | Matlab 7.0. Masachussetts, USA: The MathWorks. Inc. URL (http:// www.mathworks.com). | spa |
dc.relation.references | National Pesticide Information Center- NPIC; Oregon State University, 1999n. DDT (Technical Fact Sheet). URL. http://npic.orst.edu/factsheets/ddttech.pdf Consulting date 20 of March 2015. | spa |
dc.relation.references | Ocampoa, C.B., Salazar-Terrerosa, M.J., Minaa, N.J., McAllisterb, J., Brogdonc, W., 2011. Insecticide resistance status of Aedes aegypti in 10 localities in Colombia. Acta Trop. 118, 37–44. | spa |
dc.relation.references | Putz, M.V., Dudas, N.A., 2013. Variational principles for mechanistic quantitative structure–activity relationship (QSAR) studies: application on uracil derivatives' anti-HIV action. Struct. Chem. 24, 1873–1893. | spa |
dc.relation.references | Rice, P., Coats, J., 1994. Insecticidal properties of monoterpenoid derivatives to the house fly (Diptera: Muscidae) and red flour beetle (Coleoptera: Tenebrionidae). Pestic. Sci. 41, 195–202. | spa |
dc.relation.references | Santos, S.R.L., Silva, V.S., Melo, M.A., Barbosa, J.D.F., Santos, R.L.C., Sousa, D.P., Cavalcanti, S.C.H., 2010. Toxic effects on and structure-toxicity relationships of phenylpropanoids, terpenes and related compounds in Aedes aegypti larvae. Vector- Borne Zoonotic Dis. 10, 1049–1054. | spa |
dc.relation.references | Talete srl, d. Dragon (Software for Molecular Descriptor Calculation) Version 6.0–2014. URL. http://www.talete.mi.it. | spa |
dc.relation.references | World Health Organization (WHO). Number of Reported Cases of Chikungunya Fever in the Americas. by Country or Territory 2013–2015. Epidemiological Week/EW 4 (Updated as of 30 January 2015). URL (http://www.paho.org/chikungunya) (Consulting date: 05 of February 2015). | spa |
dc.relation.references | Xiao, Y., Yu, J., 2012. Partitive clustering (K-means family). WIREs Data Mining Knowl Discov. 2, 209–225. | spa |
dc.relation.references | Zhou, L.; Wang, J.; Wang, K.; Xu, J.; Zhao, J.; Shan, T.; Luo, C., Secondary Metabolites with Antinematodal Activity from Higher Plants. Studies in Natural Products Chemistry. Bioactive Natural Products. Atta-ur-Rahman F.R.S., Eds.; Elsevier Press: Oxford. 2012, p. 67–114. | spa |
dc.rights | Atribución-NoComercial-CompartirIgual 2.5 Colombia | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-sa/2.5/co/ | * |
dc.subject.keyword | Insecticidal activity | spa |
dc.subject.keyword | Chikungunya | spa |
dc.subject.keyword | Zika | spa |
dc.subject.keyword | Aedes aegypti | spa |
dc.subject.keyword | QSAR theory | spa |
dc.subject.keyword | MLR analysis | spa |
dc.title | The quantitative structure–insecticidal activity relationships from plant derived compounds against chikungunya and zika aedes aegypti (Diptera:Culicidae) vector | spa |
dc.type.category | Generación de Nuevo Conocimiento: Artículos publicados en revistas especializadas - Electrónicos | spa |
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