Investigation of the interaction between Aripiprazole drug with calf thymus DNA: spectroscopic and molecular docking studies
Subject Areas :
Saba Hadidi
1
(Department of Inorganic Chemistry, Faculty of Chemistry, Razi University, Kermanshah, Iran)
Keywords: Molecular docking, Spectroscopic methods, Aripiprazole drug, In vitro DNA interaction, Groove binder,
Abstract :
Studies on the binding mechanism of small molecules with DNA is of great help to understand the action mechanism of some drugs, and therefore, to design new and more efficient DNA targeted drugs. In this research paper, the interaction of native calf thymus DNA with the drug Aripiprazole (ARI) has been investigated by absorption, emission, and molecular docking studies. The remarkable hyperchromism as obtained from UV–Visible spectra indicated a high binding affinity of ARI for DNA, which is in accordance with groove binding mode. The results of competitive fluorescence experiments with methylene blue dye along with molecular docking simulation proved that ARI is located in the minor groove of DNA.