Molecular Modeling of the Structures, Properties and Glycating Power of Some Reducing Disaccharides
Daniel Glossman-Mitnik · MOJ Drug Design Development & Therapy · 2017
The molecular structures, properties and glycating power of some reducing disaccharides (Cellobiose, Gentiobiose, Isomaltose, Lactose, Laminaribiose, Maltose, Mannobiose and Xylobiose) have been studied by resorting to Chemical Reactivity Theory including Conceptual DFT and Molecular Electron Density Theory (MEDT). The reactivity sites for nucleophilic and electrophilic attacks have been chosen by relating them to the Fukui function indices, the condensed dual descriptor ?f(r) and the Parr functions. The glycating power of the reducing disaccharides is compared with that of simple hexoses and pentoses through the values of the calculated reactivity descriptors.