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Non-steroidal antiinflammatory drugs interaction with membranes

Nonsteroidal antiinflammatory drugs (NSAID) belong to the most widely prescribed drugs. They act with the enzyme cyclooxygenase, inhibiting the synthesis of prostaglandins - mediators of inflammation. Unfortunately, the use of NSAID involves an occurence of adverse effects, mainly those concerning the gastrointestinal tract. The etiology of those effects was previously connected with the absence of prostaglandin cytoprotective effect on the gastrointestinal mucosa. Recently, the gastrointestinal side-effects have been related to the interaction of NSAID with the membrane phospholipids. NSAID probably affects the membrane fluidity and hydrophobicity increasing the permeability of the membrane, but the exact mechanism is still unknown.

The goal of this project is to explore NSAID, in terms of their influence on the membrane structure and dynamics using both experimental and computer simulation approach. The effect of NSAID with different toxicity on bilayer thickness, lipid surface area, electron density profiles and other physical properties of the membrane could be determined from molecular dynamics simulation giving opportunity to correlate the gastrointestinal side-effects with NSAID - membrane interactions at the atomic level. The experimental approach will rely mainly on small and wide angle X-ray diffraction (SAXD and WAXD) methodology.

ModMol: Projects/NSAID (last edited 2018-01-22 12:41:15 by MichalMarkiewicz)