Design and Molecular Modeling of Abiraterone-Functionalized Gold Nanoparticles.

ABSTRACT: 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 Au_n 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 we

SUBMITTER: Stolarczyk EU 

PROVIDER: S-EPMC6164775 | biostudies-literature | 2018 Aug

REPOSITORIES: biostudies-literature