Physico-chemical and spectroscopic study of some biologically potent molecules in aqueous solution of an anti-malarial drug molecule with reference to diverse molecular interactions simultaneously optimized by DFT

Abstract

The various molecular interactions of amino acids, l-Asparagine (L-Asn) and l-Glutamine (L-Gln) in the aqueous solutions of Chloroquine diphosphate (CDP) had been explored comprehensively by various physicochemical as well as spectroscopic methodologies. Here we exposed the chemistry of l-Asparagine and l-Glutamine in aqueous solution of CDP by means of the apparent molar volume (ϕv), limiting apparent molar volume (ϕv0), viscosity B coefficients, molar refraction (RM), limiting molar refraction (RM0), limiting slope of surface tension and the studies revealed dominancy of solute-solvent interaction, over the solvent-solvent and solute-solute interactions in solution. A significant evidence on the nature of solute – solvent interaction obtained from 1H as well as 13C NMR spectroscopic measurement. CDP – amino acids binding constants were calculated from UV–visible spectroscopic measurement, showing significant binding ability. This work has a theoretical background after the practical outcomes, which was executed by the DFT calculations.