Glucosamine and maltol anchored Zinc(II) complex of COVID-19 health supplement relevance: DFT collaborated spectroscopic formulation with profound biological implications

Abstract

In association with other antiviral drugs, Zinc is specially administered to the patients suffering from novel coronavirus infectious disease (nCOVID). Zn, maltol, and glucosamine are famous food and drug additives. The supplements made from them are helpful in minimizing malnutrition problems, and in enhancing immune power. Due to the well-pronounced effects of all these three components in the food and medicinal industry, a novel sugar Zn(II) complex of the general composition, [Zn(gls)(mal)], where Hmal is maltol and Hgls is referred to as glucosamine, was synthesized and formulated. The physicochemical methods that were used to establish the molecular structure include elemental analysis, 1HNMR, FT-IR, UV–Vis., thermal and mass spectrometry. Physical properties like decomposition temperature and molar conductance were also examined. The experimental results at each step of characterization were validated/compared with density functionalized spectroscopic/spectrometric data using the LANL2DZ basis set for the metal atom and 6–31 g(d,p) for other atoms under the B3LYP functional. From the study, a suitable square planar geometry is suggested for the complex. Among biological implications, superoxide dismutation (SOD) and antimicrobial actions were studied. Also, virtual screening using SWISS ADME and Autodock 4.0 program (against 6X2B, SARS-CoV-2 u1S2q 2 RBD Up Spike Protein Trimer) were evaluated for the complex. Good interactions were scored by glucosamine and the complex. The results obtained from antimicrobial sensitivity indicate low inhibition zones, but from the SOD data, the complex has shown satisfactory antioxidant behavior. Therefore, the proposed food supplement could act as a good antioxidant agent and could keep the flora of the intestinal tract less disturbed while going through a metabolic pathway.