Atomistic simulation and measurement of pH dependent cancer therapeutic interactions with nanodiamond carrier

Ashfaq Adnan, Robert Lam, Hanning Chen, Jessica Lee, Daniel J. Schaffer, Amanda S. Barnard, George C. Schatz, Dean Ho, Wing Kam Liu

Research output: Contribution to journalArticle

82 Citations (Scopus)

Abstract

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 ∼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.

Original languageEnglish
Pages (from-to)368-374
Number of pages7
JournalMolecular Pharmaceutics
Volume8
Issue number2
DOIs
Publication statusPublished - Apr 4 2011

Keywords

  • CpHMD
  • adsorption
  • doxorubicine
  • drug delivery
  • nanodiamond

ASJC Scopus subject areas

  • Molecular Medicine
  • Pharmaceutical Science
  • Drug Discovery

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    Adnan, A., Lam, R., Chen, H., Lee, J., Schaffer, D. J., Barnard, A. S., Schatz, G. C., Ho, D., & Liu, W. K. (2011). Atomistic simulation and measurement of pH dependent cancer therapeutic interactions with nanodiamond carrier. Molecular Pharmaceutics, 8(2), 368-374. https://doi.org/10.1021/mp1002398