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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 alkoxylated and hydroxylated chalcones

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Author(s):
Batagin-Neto, Augusto [1] ; Lavarda, Francisco Carlos [1]
Total Authors: 2
Affiliation:
[1] Univ Estadual Paulista UNESP, DF FC, BR-17033360 Bauru, SP - Brazil
Total Affiliations: 1
Document type: Journal article
Source: MEDICINAL CHEMISTRY RESEARCH; v. 23, n. 2, p. 580-586, FEB 2014.
Web of Science Citations: 13
Abstract

Chalcones have shown potential to several pharmacological applications including antimalarial properties. We employed multivariate data analysis to correlate the antimalarial activity with electronic structure descriptors obtained through quantum mechanical calculations. The results show high statistical significance and bring valuable insights in order to design new compounds. (AU)