МOLECULAR DOCKING OF N-SUBSTITUTED DERIVATIVE OF ISOQUINOLONE WITH CATALYC DOMAIN OF PROTEIN KINASE C

Endothelium, representing panacrine gland, regulates a whole range of vitally important functions of organism. The disorder of its work - endothelial dysfunction is a key link of development of cardio-vascular diseases. Considering that this group of pathology relates to the most social significant diseases, the correction of endothelial dysfunction and the search of substances with endothelial tread activity, become an actual task for not only the pharmacology but for adjacent interrelated disciplines such as medicinal chemistry. The significant factor in pathogenesis of endothelial dysfunction development is the reduction of activity of endothelial No-synthase enzyme. One of the possible mechanism of reduction of e NOS activity at the pathology is phosphorylation by protein kinase C(PKC). Due to this fact the site of connection of No synthase enzyme by protein kinase is one of perspective method of molecular docking and can be used for search of substances with endothelial-tread activity. The forecast of biological activity of N-substituted derivative of isoquinolone was done with using a molecular docking method. The obtained results give the opportunity to presume the presence of the endothelial-tread activity of this compound.

endothelium, NO-syntase, protein kinase C, molecular docking, isoquinolone