title: Photoelectron spectroscopy of non-steroidal anti-inflammatory drugs.
abstract: The electronic structures of eight non-steroidal anti-inflammatory drugs (NSAIDs) had been studied by UV photoelectron spectroscopy (UPS) and high-level Green's function (GF) calculations. Our UPS data show that the electronic structure influences the measured biological activity of NSAID, but that it is not the dominating factor. The role of electronic structure needs to be considered in conjunction with other factors like steric properties of the COX active site and orientation of relevant residues in the same site.
authors: Charles Sturt University, POB 883, Orange, NSW 2800, Australia. inovak@csu.edu.au
authors: Igor
authors: I
authors: Novak
authors: Leo
authors: L
authors: Klasinc
authors: Delano P
authors: DP
authors: Chong
authors: Sean P
authors: SP
authors: McGlynn
mesh_terms: D000818:Animals; D000894:Anti-Inflammatory Agents, Non-Steroidal / Q000737:chemistry* / Q000494:pharmacology; D051546:Cyclooxygenase 2 / Q000378:metabolism; D052246:Cyclooxygenase 2 Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D008958:Models, Molecular; D056951:Photoelectron Spectroscopy
chemical_list: D000894:Anti-Inflammatory Agents, Non-Steroidal; D052246:Cyclooxygenase 2 Inhibitors; D051546:Cyclooxygenase 2