Title: Quantitative Structure Activity Relationships (QSARs) on Lipoxygenase Inhibitors
Volume: 3
Issue: 2
Author(s): Eleni Pontiki and Dimitra Hadjipavlou-Litina
Affiliation:
Keywords:
qsar, lox inhibitors, hydrophobicity, steric factors, electronic effects
Abstract: Eicosanoids are a family of lipid mediators derived from the metabolism of arachidonic acid. The cascade involves two major pathways: the lipoxygenase is the first enzyme in a cascade which produces leukotrienes (LTs); while cyclooxygenase (COX) initiates the cyclic pathway leading to prostanoids. These eicosanoids have a wide range of biological actions including potent effects on inflammation and immunity. This paper contains a QSAR study for LOX inhibitors. It reveals that in almost all cases, the clog P parameter plays an important role in the QSAR relationships (linear or bilinear model). In some cases the steric factors, such as the overall molar refractivity (CMR) or molar refractivity of the substituents (MR), are important. Electronic effects are comparatively unimportant. The study shows that log P as calculated from the Clog P program is suitable for this form of QSAR study.
