Journal
MOLECULAR PHARMACEUTICS
Volume 8, Issue 2, Pages 368-374Publisher
AMER CHEMICAL SOC
DOI: 10.1021/mp1002398
Keywords
nanodiamond; CpHMD; doxorubicine; adsorption; drug delivery
Funding
- US National Science Foundation [CMMI-0856492]
- World Class University under the Ministry of Education, Science and Technology, Republic of Korea [R33-10079]
- National Science Foundation [CMMI-0846323]
- V Foundation for Cancer Research
- National Science Foundation Center for Scalable and Integrated NanoManufacturing (SINAM) [DMI-0327077]
- Wallace H. Coulter Foundation
- Australian National Computational Infrastructure (NCI) [q27]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [0843832] Funding Source: National Science Foundation
- Div Of Civil, Mechanical, & Manufact Inn
- Directorate For Engineering [0856492, 0751621] Funding Source: National Science Foundation
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In this work, we have combined constant-pH molecular dynamics simulations and experiments to provide a quantitative analysis of pH dependent interactions between doxorubicin hydrochloride (DOX) cancer therapeutic and faceted nanodiamond (ND) nanoparticle carriers. Our study suggests that when a mixture of faceted ND and DOX is dissolved in a solvent, the pH of this solvent plays a controlling role in the adsorption of DOX molecules on the ND. We find that the binding of DOX molecules on ND occurs only at high pH and requires at least similar to 10% of ND surface area to be fully titrated for binding to occur. As such, this study reveals important mechanistic insight underlying an ND-based pH-controlled therapeutic platform.
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