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Titre :
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Etude theorique de l’inclusion d’une molecule therapeutique dans la beta-cyclodextrine
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Auteurs :
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Mohammed El Amine Nouairi, Auteur ;
Ahmed Yahiaoui, Directeur de thèse
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Type de document :
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texte manuscrit
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Editeur :
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Université mustapha stambouli de Mascara:Faculté des sciences exactes, 2017
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Format :
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132P. / ill. en noir et en coul., graph., couv. ill. en coul. / 29 cm.
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Accompagnement :
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disque optique numérique (CD-ROM)
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Langues:
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Français
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Résumé :
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Experimental and theoretical studies were carried out to investigate the complexation of β-CD with tetracaine hydrochloride in aqueous solution. In fact, the results obtained by UV-Visible Spectrophotometry and Electrospray mass spectrometry indicate clearly that a complex is formed between β-CD and the cationic form of tetracaine. Furthermore, NMR experiment suggests that the ammonium group of the guest molecule is inserted into the cavity. The PM3 method was applied to explore energetically the possible pathways of the insertion process. The results obtained from this analysis suggest that the insertion of the ammonium group into the secondary face of β-CD produces the most stable complex under rigid inclusion. The complexation energy scan for the inclusion process shows that the host–guest association is thermodynamically favorable and that size-fitting effect associated to hydrophobic and Vander waals interaction are the dominant parameters during the relaxed complexation
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