Boron nitride nanotube as a delivery system for platinum drugs: Drug encapsulation and diffusion coefficient prediction
| Autor: | Seyed Majid Hashemianzadeh, Zahra Khatti |
|---|---|
| Rok vydání: | 2015 |
| Předmět: |
Boron Compounds
Models Molecular Nanotube Materials science Pharmaceutical Science chemistry.chemical_element Nanotechnology Antineoplastic Agents 02 engineering and technology 010402 general chemistry 01 natural sciences Carboplatin Diffusion symbols.namesake Molecular dynamics chemistry.chemical_compound Drug Delivery Systems Molecule Computer Simulation Nanotubes Molecular Structure Hydrogen bond Water 021001 nanoscience & nanotechnology 0104 chemical sciences chemistry Models Chemical Boron nitride Drug delivery symbols van der Waals force 0210 nano-technology Platinum |
| Zdroj: | European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences. 88 |
| ISSN: | 1879-0720 |
| Popis: | Molecular dynamics (MD) simulation has been applied to investigate a drug delivery system based on boron nitride nanotubes, particularly the delivery of platinum-based anticancer drugs. For this propose, the behavior of carboplatin drugs inserted in boron nitride nanotubes (BNNT) as a carrier was studied. The diffusion rate of water molecules and carboplatin was investigated inside functionalized and pristine boron nitride nanotubes. The penetration rate of water and drug in functionalized BNNT was higher than that in pristine BNNT due to favorable water-mediated hydrogen bonding in hydroxyl edge-functionalized BNNT. Additionally, the encapsulation of multiple carboplatin drugs inside functionalized boron nitride nanotubes with one to five drug molecules confined inside the nanotube cavity was examined. At high drug loading, the hydrogen bond formation between adjacent drugs and the non-bonded van der Waals interaction between carboplatin and functionalized BNNT inner surface were found to be influential in drug displacement within the functionalized BNNT cavity for higher drug-loading capacity. |
| Databáze: | OpenAIRE |
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