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Journal of Chemistry
Volume 2013, Article ID 560415, 12 pages
http://dx.doi.org/10.1155/2013/560415
Research Article

Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR

1Young Researchers Club, Hamedan Branch, Islamic Azad University, Hamedan 65181-15743, Iran
2Department of Environment, Hamedan Branch, Islamic Azad University, Hamedan 65181-15743, Iran
3Department of Clinical Sciences, Faculty of Veterinary Medicine, Karaj Branch, Islamic Azad University, Karaj 65181-15743, Iran

Received 28 November 2011; Revised 19 June 2012; Accepted 5 July 2012

Academic Editor: Georgia Melagraki

Copyright © 2013 Amir Najafi et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Malaria has been one of the most significant public health problems for centuries. QSAR modeling of the antimalarial activity and blood-to-plasma concentration ratio of Chloroquine and a new series of 4-aminoquinoline derivatives were developed using genetic algorithms with multiple linear regression (GA-MLR) method. We obtained two different models against Chloroquine-sensitive (3D7) and Chloroquine-resistant (W2) strains of Plasmodium falciparum with good adjustment levels. Drug distribution in blood, defined as drug blood-to-plasma concentration ratio ( ), is related to molecular descriptors. Leave-many-out (LMO) and Y-randomization methods confirmed the models' robustness.