Booysen, Irvin Noel.Mapapiro, Tariro Talent.2025-02-012025-02-0120242024https://hdl.handle.net/10413/23605Masters Degree. University of KwaZulu-Natal, Pietermaritzburg.In the first experimental chapter, the synthetic approach of a lead rhenium metalcomplex, fac-[Re(CO)3(urbzt)Br] (urbzt = amino-5-((benzothiazol-2-ylmethylene)amino)-1,3-dimethyluracil) is reported from metallic rhenium and theurbzt free Schiff base. In addition, the formation of this metal complex was confirmedby LC-MS. This optimized synthetic approach was successfully mimicked in the 186Reradiolabelling experiments of urbzt and again confirmed by LC-MS. The second experimental chapter describes the synthesis and characterization of thenovel 2-aminoguanidine-derived Schiff base rhenium(I) compounds: fac-[Re(CO)3(Hguabs)Br]Br (1) (Hguabs· Cl = 2-((benzothiazole)methyleneamino)guanidine chloride) and fac-[Re(CO)3(guaquin)Br](2) (guaquin = 2-((quinolin-2-yl)methyleneamino)guanidine). Time-dependent UV-Visspectrophotometry show that these metal compounds undergoes sequential chloroligand substitution in DMSO followed by hydrolysis. The affinities of these metalcomplexes towards Calf Thymus Deoxyribonucleic acid (CT-DNA) and Bovine SerumAlbumin (BSA) were investigated. In particular, these metal compounds afforded highintrinsic DNA binding constants (Kb > 107 M-1) suggesting they both occupy within themajor and minor DNA grooves. Density functional theory calculations were conductedto rationalize the electronic transitions of the metal compounds. Molecular dockingsimulations were performed to probe the nature of the interaction between CT-DNAand the individual optimized conformers of the metal complexes. The in vitrocytotoxicity of 1 and 2 were assessed in various cancerous cell lines and benign cellswhere they showed activities in the low micromolar range.enRhenium.2-aminoguadine.Benzothiazole.Uracil.Radiolabeling.Thesis