Review in Quantitative Structure Activity Relationships on Lipoxygenase Inhibitors
Pontiki Eleni, Hadjipavlou-Litina Dimitra
Abstract
Pontiki Eleni, Hadjipavlou-Litina Dimitra
Abstract
This paper reviews and evaluates all the published QSAR treatments of LOX inhibitors. This reveals that in almost all cases, the clog P parameter plays an important part in the QSAR relationships. In some cases the steric factors (B(1), B(5) and L) as well as the overall molar refractivity (CMR) or the substitutents molar refractivity (MR) are important. Electronic effects except for the Hammet's constant alpha, are comparatively unimportant. The study shows that log P as calculated from the Clog P program is suitable for this form of QSAR study. Log Po of 2.77-3.76 was found to be ideal, for the biological response.
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This paper reviews and evaluates all the published QSAR treatments of LOX inhibitors. This reveals that in almost all cases, the clog P parameter plays an important part in the QSAR relationships. In some cases the steric factors (B(1), B(5) and L) as well as the overall molar refractivity (CMR) or the substitutents molar refractivity (MR) are important. Electronic effects except for the Hammet's constant alpha, are comparatively unimportant. The study shows that log P as calculated from the Clog P program is suitable for this form of QSAR study. Log Po of 2.77-3.76 was found to be ideal, for the biological response.
Key concepts: Lipoxygenase, Chemistry, Arachidonate 5-lipoxygenase, Structure–activity relationship, Computational biology, Pharmacology, Biochemistry, Biology