A new insight of structures, bonding and electronic properties for 6-mercaptopurine and Ag₈ clusters configurations: a theoretical perspective.

ABSTRACT:

Background

Many reports have also shown that the silver nanoparticles can effectively increase the anticancer drug activity and intensely enhance the drug curative effect. The adsorption of 6MP on nanomaterials has received a lot of attentions because of the drug coordination to its chemotherapeutic activity. The geometrical structures, chemical bonds, molecular orbital properties as well as density of states for the configurations were analyzed to deeply understand the interactions between the 6MP and Ag₈ clusters for high effect anticancer drug production.

Results

In this work, the density functional theory B3LYP has been used to investigate the structures and properties of the configurations between 6-mercaptopurine (6MP) and Ag₈ clusters using 6-311

SUBMITTER: Ren H 

PROVIDER: S-EPMC6661816 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature