Crystal structure, Hirshfeld analysis and HSA interaction studies of N'-[(E)-(5-bromothiophen-2-yl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide

Article abstract of DOI:10.1016/j.molstruc.2019.03.070

Synthesis of ONO tridentate imine based molecule N'-[(E)-(5-bromothiophen-2-yl)methylidene]-3-hydroxynaphthalene-2-carbohydrazide (HTp) is gained quick attention because of its operational simplicity carried by both conventional and microwave methods and structurally it was elucidated by analytical, spectral, X-ray crystallography and Hirshfeld surface techniques. Analysis from the X-ray study provided the details of molecular structure, packing and hydrogen bonding properties in the solid state. The molecule is crystallized in monoclinic P21/c space group. The apparent binding affinity for the coupling of human serum albumin (HSA) with HTp drug molecule was examined through in vitro spectroscopic methods and molecular docking studies. HTp strongly quenched the intrinsic fluorescence intensity of HSA in terms of a static mode. The thermal based binding parameters were quantified from the fluorescence quenching experimental data. The energy transfer efficiency determined according to F?rster's theory. Besides, the experimental results were in line with the molecular docking results.