Minor groove binding of imidocarb dipropionate to calf thymus DNA: insights from multispectral, thermodynamic, and molecular docking approaches

Abstract

This study aimed to investigate the interaction between imidocarb dipropionate (IMDP) and double-stranded DNA, as understanding its mechanism of action is crucial for optimizing its use as a veterinary antiprotozoal agent. Using calf thymus DNA as a model, we systematically explored the binding of IMDP to DNA via UV-vis absorption spectroscopy, Competitive displacement assays, thermal denaturation analysis, circular dichroism spectroscopy, ion interference experiments, viscosity measurement, and molecular docking. Results indicated that IMDP binds to DNA with a decrease in hypochromicity rates of 23.95% and 22.17%. Notably, the T_m value rose from 69 °C to 71 °C upon binding, and the circular dichroism spectrum peaks remained nearly unchanged, suggesting a groove binding mode with minimal impact on DNA conformation and viscosity. Our findings confirm that IMDP binds to double-stranded DNA by interacting within the DNA groove, supporting its potential as a DNA-targeting antiparasitic drug.