Biophysical investigation of the interaction between NSAID ibuprofen and cationic biodegradable Cm-E2O2-Cm gemini surfactants

•Binding interactivity between Ibuprofen and a series of Cm-E2O2-Cm gemini surfactants was studied.•Surface tension, Fluorescence, UV–visible and FT-IR spectroscopic insights were examined.•DFT calculations and MD simulations were done to reach the theoretical conclusions.•Binding parameters were found to be different below and above CMC of surfactants.•The number of carbon atoms in alkyl chain length of gemini surfactants were found to affect the extent of binding.