AMBIENTUM BIOETHICA BIOLOGIA CHEMIA DIGITALIA DRAMATICA EDUCATIO ARTIS GYMNAST. ENGINEERING EPHEMERIDES EUROPAEA GEOGRAPHIA GEOLOGIA HISTORIA HISTORIA ARTIUM INFORMATICA IURISPRUDENTIA MATHEMATICA MUSICA NEGOTIA OECONOMICA PHILOLOGIA PHILOSOPHIA PHYSICA POLITICA PSYCHOLOGIA-PAEDAGOGIA SOCIOLOGIA THEOLOGIA CATHOLICA THEOLOGIA CATHOLICA LATIN THEOLOGIA GR.-CATH. VARAD THEOLOGIA ORTHODOXA THEOLOGIA REF. TRANSYLVAN
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Autori: PÁLMA BUCUR, MIRCEA DUMITRU CROITORU, IBOLYA FÜLÖP.
In this study, ternary complexes of four nonsteroidal anti-inflammatory drugs (ibuprofen, ketoprofen, flufenamic acid and mefenamic acid) with hydroxypropyl-β-cyclodextrin were studied using a molecular modeling technique. As third component in the complexes, different types of small molecules were chosen – regarding the acid-base character, molecular volume, etc. The binding energy, surface area contraction and volume contraction of these binary and ternary complexes were calculated. The results show that, by adding auxiliary substance to the active ingredient-cyclodextrin binary system, more stable complexes are formed. The ternary complexes are stabilised by hydrogen bonds and van der Waals interactions.
Keywords: cyclodextrin, ternary complex, molecular modeling, NSAID
Published Online: 2016-12
