In silico investigations on the Regulatory mechanism of Endothelial nitric oxide synthase

Abstract

The vascular endothelium the inner lining of vessel wall expresses newlineendothelial nitric oxide synthase eNOS an enzyme that generates the newlinevasoprotective molecule Nitric Oxide NO that regulates vascular newlinehomeostasis angiogenesis and vascular remodelling processes Multiple and newlineinterdependent control mechanisms regulates its activity for optimal newlineproduction of NO Employing computational approaches this thesis newlineinvestigates the regulatory mechanism of this important enzyme bringing in newlinedetail the mechanochemical signal transduction pathway structural cues in newlinephosphorylation dephosphorylation events and the protein interaction newlineunderlying the signalling events newlineA systems biology approach at cellular level has been put forth to newlinemodel the eNOS activation process regulated by multiple molecular signal newlinetransduction pathways The signalling pathways were quantitatively solved as newlinemass action or enzymatic reactions represented by first order second order newlinedifferential equations developed using the Kinetikit platform of GENESIS an newlineopen source reaction kinetic simulator newline newline