QSAR for anti-malarial products

 

M. Zahouily*, M. Lazar

UFR Chimie Appliquée, Laboratoire de Catalyse, Chimiométrie et Environnement, Département de Chimie,

Faculté des Sciences et Techniques, B.P. 146, Mohammadia 20650, Maroc

* Corresponding author. E-mail:mzahouily@yahoo.fr

Received: 26 December 2004; revised version accepted:18 August 2006

 

Abstract

     Quantitative structure-activity antimalarial relationships were studied for 63 analogues of 2-Aziridinyl and 2.3-bis(azidirinyl)-1.4-naphthoquinonyl sulfonate and acylate derivatives by means of multiple linear regression (MLR). The antimalarial activity (-logIC50x106) of the compounds studied were well correlated with the descriptors encoding the chemical structure. The results showed that the antimalarial activity of
2-Aziridinyl and 2.3-bis(azidirinyl)-1.4-naphthoquinonyl sulfonate and acylate derivatives was strongly dependent on hydrophobic character, hydrogen-bond acceptors and also steriuc factors of substituents. 

 

Keywords: 2D-QSAR; Anti-malarial activity; Pertinent descriptors; MLR.

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