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.
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This work was supported by Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP, proc. 04/13341-1).
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Batagin-Neto, A., Lavarda, F.C. The correlation between electronic structure and antimalarial activity of alkoxylated and hydroxylated chalcones. Med Chem Res 23, 580–586 (2014). https://doi.org/10.1007/s00044-013-0667-4
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DOI: https://doi.org/10.1007/s00044-013-0667-4