Probing the binding of Azilsartan to DNA by molecular docking, steady-state/time-resolved fluorescence, viscosity, infrared, and circular dichroism spectra

ABSTRACT

Azilsartan, a new antihypertensive drug, has effects on the sympathetic nervous system and expression of genes. The interaction of Azilsartan with DNA was investigated using molecular docking and multi-spectral techniques. Molecular docking revealed that Azilsartan could interact with DNA via groove binding from a theoretical perspective. Time-resolved fluorescence measurements indicated that the quenching mechanism was static, and further analysis of quenching data demonstrated that the binding was spontaneous and mainly driven by hydrophobic forces. The results of interaction with denatured DNA, viscosity, infrared spectroscopy, and circular dichroism showed that Azilsartan could bind to DNA through groove binding, which was consistent with docking analyses.

KEYWORDS:

• Azilsartan
• DNA
• groove binding
• molecular docking
• spectroscopy