Lipoxygenase, QSAR

Indicator variables (/) are often used to highlight a structural feature present in some of the molecules in a data set that confers unusual activity or lack of it to these particular members. Their use could be beneficial in cases where the data set is heterogeneous and includes large numbers of members with unusual features that may or may not impact a biological response. QSAR for the inhibition of trypsin by X-benzamidines used indicator variables to denote the presence of unusual features such as positional isomers and vinyl/ carbonyl-containing substituents (170). A recent study on the inhibition of lipoxygenase catalyzed production of leukotriene B4 and 5-hydroxyeicosatetraenoic from arachidonic... 

Eleischer, R., Erohberg, R, Biige, A., Nuhn, R, Wiese, M. QSAR analysis of substituted 2-phenylhydrazonoacetamides acting as inhibitors of 15-lipoxygenase. Quant. Struct.-Act. Relat. 2000, 19, 162-172. 

Agrawal, V.K, Bano, S. and Khadikar, P.V. (2003a) QSAR study on 5-lipoxygenase inhibitors using distance-based topological indices. Bioorg. Med. Chem., 11, 5519-5527. 

Studies of structure-activity relationships (QSAR) of l-phenyl-3-aminopyrazolines as inhibitors of immune complex-induced inflammation have been reported <90JPS609>. Other related compounds have been described as inhibitors of cyclooxygenase, lipoxygenase, and thromboxane synthetase <89EJM435>. 

Rational design could be pushed even further, employing 3D-QSAR studies to yield pharmacophore models, as is the case for 15-lipoxygenase inhibitory activity. For this purpose, 47 indolizines with anti-15-LOX activity were used to obtain a statistically significant model [70]. 

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