Raman and surface enhanced Raman spectroscopic studies of specific, small molecule activator of histone acetyltransferase p300

Abstract

We report for the first time, the Raman and Surface Enhanced Raman Scattering (SERS) studies of N-(4-chloro-3-trifluoromethyl-phenyl)-2-ethoxy-benzamide (CTB). This molecule is specific activator of Human Histone Acetyltransferase (HAT), p300 and serves as lead molecule to design anti-neoplastic therapeutics. A detailed Raman and SERS band assignments have been performed for CTB, which are compared with the density functional theory calculations. The observed red shift of N H stretching frequency from the computed wavenumber indicates the weakening of N H bond resulting from proton transfer to the neighboring oxygen atom. We observe Ag N vibrational mode at 234 cm⁻¹ in SERS of CTB. This indicates there is a metal–molecule bond leading to chemical enhancement in SERS. We also observe, enhancement in the modes pertaining to substituted benzene rings and methyl groups. Based on SERS analysis we propose the adsorption sites and the orientation of CTB on silver surface.