Nanocomposites based on halloysite as carriers for anticancer drugs : experimental data and molecular simulations

• Κύριος συγγραφέας: Γιαννή, Ελένη
• Άλλοι συγγραφείς: Gianni, Eleni
• Γλώσσα: English
• Έκδοση: 2022
• Θέματα: Clay minerals; Halloysite; Colon cancer; Drug delivery system; Molecular simulations; Irinotecan; Αργιλικά ορυκτά; Αλλοϋσίτης; Καρκίνος παχέος εντέρου; Σύστημα μεταφοράς φαρμάκου; Μοριακή προσομοίωση; Ιρινοτεκάνη

Halloysite is a clay mineral of kaolinite group with tubular morphology. Due to its special characteristics, it is widely used for the encapsulation of a variety of molecules and therefore it is used as a drug delivery system. In this study, halloysite was investigated as a potential delivery system of irinotecan for the treatment of colon cancer by oral administration. The drug-loaded halloysite nanocomposites were coated with Eudragit S100 copolymer, for the targeted release of the active substance only in colon conditions. The drug entrapment efficiency was reached a satisfactory value of 84.42 ± 3.10 %, as it was found from UV-Vis Spectrophotometry. The nanocomposites were characterized for their physicochemical and morphological properties via TGA, XRD, TEM, SEM, and DLS methods. Quantum Mechanics and Classical Molecular Simulations methods were used for a deeper view on mutual interactions between individual compounds. The bacterial load of the halloysite was examined in order to support its use in pharmaceutical applications. Release studies were performed in simulated conditions of the human body, determined a minimum release of the drug under stomach conditions (0.7 % in 2 h), a low release at pH 4.5 (24.8 % total release after 2 h in pH 1.2 and 2 h in pH 4.5) followed by a rapid release after 1 h in intestinal conditions (> 90 %). Cellular studies (viability, apoptosis and hemolysis) were performed in order to prove the cytocompatibility of the samples. The drug carrier was found to be non-toxic in small concentrations, while the irinotecan-loaded halloysite exhibits higher anticancer activity than free irinotecan (45 ± 6 % and 26 ± 6 % viability at 24 h and 48 h, respectively). From Molecular Simulations was showed that halloysite can interact effectively with all the different forms of the drug, resulting a promising drug delivery system for irinotecan.