Experimental and computational studies of gliclazide inclusion complexes with -cyclodextrin

Gliclazide (GLC) inclusion complexes with beta-cyclodextrin (beta CD) were studied by UV-VIS and FT-IR spectroscopy. The recorded spectra confirmed formation of GLC-beta CD binary complexes and GLC-(beta CD)2 ternary complexes in aqueous solutions. UV-VIS measurements carried out for a number of temperatures allowed to determine the binding constants of the complexation reactions. The bioavailability of GLC-beta CD and GLC-(beta CD)(2) was determined using the n-octanol/water partition coefficient. Experimental studies were supplemented with theoretical calculations. Quantum-chemical calculations and classical molecular dynamics simulations were used to describe the interactions in the host-guest inclusion complexes.