Chemistry Seminar Series: Dr. Alex BunkerExport this event to calendar

Monday, August 26, 2013 — 2:30 PM EDT

What can molecular dynamics simulation tell us about the role of PEGylation in drug delivery?

Dr. Alex Bunker
Centre for Drug Research
Faculty of Pharmacy
University of Helsinki

Monday, August 26, 2013
2:30 p.m.
C2-361 (Reading Room)

Abstract:  We review our recent work using molecular dynamics simulation to study PEGylation in drug delivery. PEGylation, the attachment of poly(ethylene glycol) (PEG) to drugs or the exterior of nanovectors, is well established as a technique to create a “stealth shield” that prologues bloodstream lifetime, hence efficacy. We have studied the surface of a PEGylated liposome, studying the effect of membrane state (gel or liquid crystal), presence of cholesterol in the membrane, density of PEG lipid, and targeting ligands expressed on the PEGylated liposome exterior. We have also studied PEGylated drugs, both how the drug interacts with PEG, and how PEGylation of the drug affects the penetration of drugs into the cell membrane. In all of these studies, we have found that the specific properties of PEG, its solubility in both polar and non-polar solvents, and its acting as a polymer electrolyte, have a significant effect when used in drug delivery.

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