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Journal of Nanomaterials
Volume 2016, Article ID 2682105, 9 pages
Research Article

Construction of a Nanodiamond–Tamoxifen Complex as a Breast Cancer Drug Delivery Vehicle

1NANOCOSMOS Virtual Lab, Centro de Investigación en Materiales Avanzados, SC, Miguel de Cervantes 120, Complejo Industrial Chihuahua, 31136 Chihuahua, CHIH, Mexico
2Facultad de Ciencias Químicas, Universidad Autónoma de Chihuahua, Chihuahua, CHIH, Mexico

Received 9 June 2016; Revised 24 August 2016; Accepted 21 September 2016

Academic Editor: Guoqing Ning

Copyright © 2016 Linda-Lucila Landeros-Martínez et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


According to the World Health Organization, breast cancer represents 16% of all cancer cases in women and is the second most common cancer. In the past decades, the mortality among patients with metastasis breast cancer has been reduced significantly via drug delivery by means of nanodiamond therapies, which are both biocompatible and scalable. In this study, we determined a theoretical pathway for the construction of a nanodiamond–tamoxifen complex that will act as a drug delivery vehicle for targeting tumor tissues of breast cancer. The tamoxifen pharmacophore was defined and the binding zone was identified for the electrostatic interaction between tamoxifen and a functionalized site of a nanodiamond particle allowing for attachment of the payload (this drug) to the surface of the nanodiamond particle. In addition, an analysis of the intermolecular interaction between the nanodiamond and tamoxifen was conducted, showing three hydrogen bonds complying fully with Lipinski’s rule of five, which states that a compound should have five or fewer hydrogen bonds to be permeating and easily absorbed by the body (qualitative prediction). All calculations were performed using the conceptual Density Functional Theory with the M06 functional and the basis set 6-31G(d). The solvent effect has been taken into account by an implicit model, the conductor like polarizable continuum model.