Anti-T. cruzi activities and QSAR studies of 3-arylquinoxaline-2-carbonitrile di-N-oxides

Bioorganic & Medicinal Chemistry Letters
Esther VicenteAntonio Monge

Abstract

In a continuing effort to identify new active compounds for combating Chagas disease and other neglected diseases, our research group synthesized and evaluated 23 3-arylquinoxaline-2-carbonitrile di-N-oxides against Trypanosoma cruzi. Five of them presented IC(50) values of the same magnitude as the standard drug Nifurtimox, making them valid as new lead compounds. The optimized molecular structures of 23 derivatives represented by 1497 types of DRAGON descriptors were subjected to linear regression analysis, and the derived QSAR was shown to be predictive. In this way, we achieved a rational guide for the proposal of new candidate structures whose activities still remain unknown.

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Citations

Jul 3, 2013·European Journal of Medicinal Chemistry·Enrique TorresSilvia Pérez-Silanes
Feb 26, 2014·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Awwad A Radwan, Wael M Abdel-Mageed
Oct 23, 2013·Future Medicinal Chemistry·Benjamín Aguilera-VenegasHernán Speisky
Sep 23, 2014·Journal of Biomedical Science·Kai Y WongPablo R Duchowicz
Jul 5, 2016·Expert Opinion on Therapeutic Patents·Juan B RodriguezSergio H Szajnman
Aug 15, 2012·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Yunzhen HuRong Sheng
Jun 10, 2011·Journal of Computational Chemistry·A P ToropovaJ Leszczynski

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