title: Efficient microwave-assisted synthetic protocols and in silico behaviour prediction of per-substituted β-cyclodextrins.
abstract: Selective per-substituted cyclodextrin design enables the carrier's physicochemical and binding properties to be tailored and can even modify some biological native structure effects. We herein report a number of highly efficient microwave-assisted synthetic protocols for the preparation of several amino, ureido and thioureido per-substituted β-cyclodextrin derivatives. A rapid parallel synthetic approach has given a set of 14 different CD derivatives. Our strategy is supported by computational analyses which were used to estimate the physicochemical behaviour of per-substituted derivatives and to tailor suitable substituents.
authors.affiliation: Dipartimento di Scienza e Tecnologia del Farmaco, University of Turin, Via Pietro Giuria 9, 10125 Torino, Italy.
authors.forename: K
authors.initials: K
authors.lastname: Martina
authors.forename: G
authors.initials: G
authors.lastname: Cravotto
authors.forename: M
authors.initials: M
authors.lastname: Caporaso
authors.forename: L
authors.initials: L
authors.lastname: Rinaldi
authors.forename: C
authors.initials: C
authors.lastname: Villalonga-Barber
authors.forename: G
authors.initials: G
authors.lastname: Ermondi
mesh_terms: D003198:Computer Simulation; D008872:Microwaves; D008958:Models, Molecular; D047392:beta-Cyclodextrins / Q000138:chemical synthesis* / Q000737:chemistry
chemical_list: D047392:beta-Cyclodextrins