Docking arachidonic acid into human 5/12-lipoxygenase using ICM

摘要

Lipoxygenases(LOX) are a super gene family of iron-containing enzymes, that catalyze the stereo- and regio-specific formation of fatty acid hydroperoxides from polyunsaturated fatty acids. Mammalian lipoxygenase have been implicated in the pathogenesis of various inflammatory responses. An increasing number of researchers and scholars focus on developing the specific inhibitors for LOX. Due to the important role the LOX play, modeling the interaction between substrate arachidonic acid (AA) and lipoxygenase is of great significance. In this research, we modeled the interactions between 5-LOX/12LOX and their substrate AA. The crystal structure of human 5-LOX and 12-LOX were obtained from protein data bank. Internal Coordinated Mechanics (ICM) was used to perform the docking.