Nanotechnology-based approaches for targeting and delivery of drugs via Hexakis (m-PE) macrocycles.

ABSTRACT: Hexakis (m-phenylene ethynylene) (m-PE) macrocycles, with aromatic backbones and multiple hydrogen-bonding side chains, had a very high propensity to self-assemble via H-bond and π-π stacking interactions to form nanotubular structures with defined inner pores. Such stacking of rigid macrocycles is leading to novel applications that enable the researchers to explored mass transport in the sub-nanometer scale. Herein, we performed density functional theory (DFT) calculations to examine the drug delivery performance of the hexakis dimer as a novel carrier for doxorubicin (DOX) agent in the chloroform and water solvents. Based on the DFT results, it is found that the adsorption of DOX on the carrier surface is typically physisorption with the adsorption strength values of - 115.14 and - 83.37

SUBMITTER: Pasban S 

PROVIDER: S-EPMC8050045 | biostudies-literature | 2021 Apr

REPOSITORIES: biostudies-literature