Design and Molecular Modeling of Abiraterone-Functionalized Gold Nanoparticles

Nanomaterials. 2018;8(9):641 DOI 10.3390/nano8090641

 

Journal Homepage

Journal Title: Nanomaterials

ISSN: 2079-4991 (Print)

Publisher: MDPI AG

LCC Subject Category: Science: Chemistry

Country of publisher: Switzerland

Language of fulltext: English

Full-text formats available: PDF, HTML

 

AUTHORS


Elżbieta U. Stolarczyk (R&D Analytical Chemistry Department, Pharmaceutical Research Institute, 8 Rydygiera Street, 01-793 Warsaw, Poland)

Marta Łaszcz (R&D Analytical Chemistry Department, Pharmaceutical Research Institute, 8 Rydygiera Street, 01-793 Warsaw, Poland)

Andrzej Leś (R&D Analytical Chemistry Department, Pharmaceutical Research Institute, 8 Rydygiera Street, 01-793 Warsaw, Poland)

Marek Kubiszewski (R&D Analytical Chemistry Department, Pharmaceutical Research Institute, 8 Rydygiera Street, 01-793 Warsaw, Poland)

Krzysztof Kuziak (R&D Analytical Chemistry Department, Pharmaceutical Research Institute, 8 Rydygiera Street, 01-793 Warsaw, Poland)

Katarzyna Sidoryk (Chemistry Department, Pharmaceutical Research Institute, 8 Rydygiera Street, 01-793 Warsaw, Poland)

Krzysztof Stolarczyk (Faculty of Chemistry, University of Warsaw, 1 Pasteura Street, 02-093 Warsaw, Poland)

EDITORIAL INFORMATION

Blind peer review

Editorial Board

Instructions for authors

Time From Submission to Publication: 11 weeks

 

Abstract | Full Text

The aim of our work was the synthesis and physicochemical characterization of a unique conjugate consisting of gold nanoparticles (AuNPs) and a pharmacologically active anticancer substance abiraterone (AB). The direct coupling of AB with gold constitutes an essential feature of the unique AuNPs–AB conjugate that creates a promising platform for applications in nanomedicine. In this work, we present a multidisciplinary, basic study of the obtained AuNPs–AB conjugate. Theoretical modeling based on the density functional theory (DFT) predicted that the Aun clusters would interact with abiraterone preferably at the N-side. A sharp, intense band at 1028 cm−1 was observed in the Raman spectra of the nanoparticles. The shift of this band in comparison to AB itself agrees well with the theoretical model. AB in the nanoparticles was identified by means of electrochemistry and NMR spectroscopy. The sizes of the Au crystallites measured by XRPD were about 9 and 17 nm for the nanoparticles obtained in pH 7.4 and 3.6, respectively. The size of the particles as measured by TEM was 24 and 30 nm for the nanoparticles obtained in pH 7.4 and pH 3.6, respectively. The DLS measurements revealed stable, negatively charged nanoparticles.