Synthesis, Crystal Structure, Spectroscopic Characterization, in Vitro and in Silico Studies of Water-Soluble (Z)-N'-Hydroxy-2-Morpholinonicotinimidamide

A water-soluble compound (Z)-N′-hydroxy-2-morpholinonicotinimidamide was synthesized, and it has a multi-functional group, such as morpholine, pyridine, and oxime. The synthesized compound was characterized by various spectroscopic techniques such as NMR, FTIR, UV-Visible, elemental analysis, and single-crystal XRD. The molecule was investigated using computational methods, such as DFT and MEP, to determine the electronic characterization of the molecule′s surface. With the aid of these studies, docking experiments were also performed with diabetic and inflammatory-responsible enzymes. The results are matched with in vitro anti-diabetic and anti-inflammatory studies where protein inhibition methods were followed. The acquired results strongly imply that the compound may be investigated for better activity in vivo studies, given that it can support the biological system regarding solubility.