Synthesis, anticancer, anti-inflammatory, antimicrobial activities, molecular docking, and Density functional theory studies of nanometal (IV) glycoconjugates

Oxovanadium (IV) and diphenyltin (IV) complexes were synthesized on the nanoscale based on the Schiff base (H2L) derived from salicylaldehyde and d-glucosamine. The complexes were formed with a molar ratio of 1:1 and 1:2 (metal: dligand) relative to oxovanadium (IV) and diphenyltin (IV), respectively. Fourier-transform infrared spectroscopy, 1H and 13C nuclear magnetic resonance, mass fragmentations, electronic transitions, thermogravimetric analysis, and density functional theory were employed to validate the structure of synthesized compounds. The results demonstrated that the ligand (H2L) was successfully attached to oxovanadium (IV) and diphenyltin (IV) as di-anionic and mono-anionic ligands, respectively. The size of the complexes was investigated using the transmission scanning microscope. The work presents a prospective concept for the drug design of the targeted anticancer through the glucose moiety. All compounds revealed remarkable anticancer activities against the colorectal (HCT-116) cell line, recording IC50 values 4.94, 21.73, and 62.5 mu g/ml for VO (II)(L), free H2L, and Sn (ph)2(HL)2, respectively. The IC50 value of VO (II)(L) complex was increased after the quercetin inhibitor. Therefore, the sugar-conjugated compound can be recognized by the glucose recognition binding site of GLUT and their cell-killing effect depends highly on the GLUT inhibitor, quercetin. The potential GLUT transportability of the compounds was investigated through a molecular docking study. The anti-migration activity was investigated for VO (II)(L) complex. The free ligand observed the best antimicrobial results. The antibacterial stimulation was investigated and represented different interaction types with the selected ribosyl transferase enzyme. Nanosized metal complexes of sugar-conjugated are synthesized and explored with high affinity as colon anticancer compounds, especially the vanadyl complex. The research presents a prospective concept for targeted therapy anticancer drug design. image