|Title||Photoelectron spectroscopy of non-steroidal anti-inflammatory drugs|
|Publication Type||Journal Article|
|Year of Publication||2013|
|Authors||Novak, I, Klasinc, L, Chong, DP, McGlynn, SP|
|Journal||SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY|
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. (C) 2013 Elsevier B.V. All rights reserved.