Abstract

CELAYA, Christian A.; ARAIZA, Daniel G.  and  REINA, Miguel. Effective drug-delivery and detection via nanostructured cage-like devices: theoretical studies and perspectives. Mundo nano [online]. 2022, vol.15, n.29, e00055.  Epub Aug 15, 2022. ISSN 2448-5691.  https://doi.org/10.22201/ceiich.24485691e.2022.29.69731.

Herein we present the state of the art regarding the study of nanomaterials devoted to drug delivery and detection systems. In view of the important developments on the design and synthesis of different nanomaterials, in the last decades these systems have been employed in biomedical applications, having a significant impact in this field. Specifically, the study of cage-like nanostructures formed by 24 atoms (or more) has attracted the attention of several research groups, since these materials present outstanding physicochemical properties, among other features. These systems have been repeatedly proposed as effective nanomaterials in applications devoted to the detection and delivery of a wide range of drugs. The review is focused on the most relevant theoretical findings obtained through computational methodologies, specifically by density functional theory (DFT) calculations. The study of this type of nanomaterials through DFT computational methods has been a successful strategy, since the approach has impacted positively in a better design and evaluation of several materials’ properties. The above has guided the experimental synthesis of these nanomaterials to be used over real biological systems.

Keywords : nanomaterials; nanocages; DFT; drug delivery; drug detection.

        · abstract in Spanish     · text in Spanish     · Spanish ( pdf )