Targeted Colon Cancer and Chemotherapeutic Through Metal Glycoconjugates: Design, Synthesis, Molecular Docking, and DFT Investigations

Abstract

To advance our study on the GLUT's glucose recognition binding site and enhance the effectiveness of targeted anticancer compounds based on our encouraging findings, glycogenated metal complexes have shown promise in combating colon cancer (HCT-116) through salicylaldehyde-D-glucosamine Schiff base(H₂L), we proceed with our research utilizing various colon cell lines with different metal ions known for their potent anticancer effect. Newly synthesized complexes with the formulae Zn (HL)₂, (CH₃)₂Sn(HL)₂, and [Ru(L)(HL)H₂O].H₂O are directed against two colon cell lines (HCT-116 and Caco-2). Different characterization techniques are used to confirm structures. DFT was used to structurally optimize the synthesized compounds. The particle size distribution was performed for all chelates. All compounds revealed remarkable anticancer activities especially the ligand and Ru (III) complex recording IC₅₀ values of 21.73 μg/mL against HCT-116 and 49.53 μg/mL against Caco-2 cell lines, respectively. The results showed that GLUT's glucose recognition binding site can attract the sugar-conjugated compounds. The efficiency of the ligand and its Ru (III) complex was confirmed through the evaluation of GSH, SOD, MDA, NO, and LDH levels. The high affinity of metal glycoconjugates for DNA binding was explored using electrophoresis. Additionally, the metal chelates showed significant antimicrobial activity. The ligand and its Zn (II) complex showed bactericidal activity against the strain of Helicobacter pylori. The docking simulation was performed to explore the active amino acids participate in the biological interaction.