Molecular simulations of drug delivery systems based on halloysite

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Γκούμα, Ελένη

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Abstract

Halloysite is a clay mineral of kaolinite group which appears in different forms, but the most widely used form is the tubular structure. Due to its particular characteristics, halloysite has been used for the entrapment of various substances and for that reason it finds application as an excipient for the delivery of the drugs in human body. Molecular Simulation was used to explain the interactions between 5-fluorouracil and halloysite. In order to study the behavior of the molecules, computational models have been developed showing that halloysite can be used as a potential delivery system for the active substance, as it interacts effectively with the drug molecules.

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Halloysite, 5-fluorouracil, Molecular simulation, Drug delivery

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