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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

The Correlation Between Electronic Structure and Antimalarial Activity of Tetrahydropyridines

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Naranjo-Montoya, Oscar A. [1] ; Martins, Lucas M. [2] ; da Silva-Filho, Luiz C. [3] ; Batagin-Neto, Augusto [4] ; Lavarda, Francisco C. [5]
Total Authors: 5
[1] Univ Quindio, Fac Ciencias Basicas & Tecnol, Programa Fis, Quindio - Colombia
[2] Univ Estadual Paulista, Programa Posgrad Ciencia & Tecnol Mat, BR-17033360 Bauru, SP - Brazil
[3] Univ Estadual Paulista, Dept Quim, BR-17033360 Bauru, SP - Brazil
[4] Univ Estadual Paulista, BR-18409010 Itapeva, SP - Brazil
[5] Univ Estadual Paulista, Fac Ciencias, Dept Fis, BR-17033360 Bauru, SP - Brazil
Total Affiliations: 5
Document type: Journal article
Source: Journal of the Brazilian Chemical Society; v. 26, n. 2, p. 255-265, FEB 2015.
Web of Science Citations: 3

In this study, correlations between electronic structure and the antimalarial activities reported for a group of 21 tetrahydropyridines were evaluated by multivariate methods. Simple and multiple linear regressions, principal component analyses, and linear discriminant analyses were employed to evaluate possible correlations between quantum-mechanical descriptors and pharmacological activity. The results obtained provide useful information on the position of active sites of tetrahydropyridines and identify some specific features associated with active derivatives. Based on these findings, simple substitution rules are proposed for designing more efficient tetrahydropyridine derivatives. (AU)

FAPESP's process: 13/08697-0 - Studies about the use niobium pentachloride in multicomponent reactions toward the synthesis of dye-sensitizers with potential application in photoelectrochemical devices of Grätzel
Grantee:Luiz Carlos da Silva Filho
Support Opportunities: Regular Research Grants
FAPESP's process: 10/18022-2 - Studies about the use of niobium compounds in multicomponent reactions
Grantee:Luiz Carlos da Silva Filho
Support Opportunities: Regular Research Grants
FAPESP's process: 11/14769-9 - Enantioselective synthesis of functionalized piperidines through penta-components reaction, using Niobium compounds as catalysts
Grantee:Lucas Michelão Martins
Support Opportunities: Scholarships in Brazil - Master