Oligopeptide based ternary chelators of transition metal ions as complexes for managing aggregation and redox processes of Alzheimer’s disease pathogenesis

The study deals with theoretical and experimental structural analysis via mass spectrometry and nuclear magnetic resonance of complexes of competitively interacting oligopeptides with Cu(I/II) and Zn(II) ions; thus, producing innovative species as prospective candidate therapeutics governing aggregation and catalyzed reactive oxygen reactions of the Alzheimer’s disease. There is peptide coordination with Cu(I/II) ions; thus, preventing Cu(II)-amyloidal-beta (Ab) complex formation as a prospective therapeutic approach. It improves therapeutics-like property of oligopeptides and tackles metal ion selectivity. Further, ologopeptides appear selective toward Cu(II)-ion in presence of Zn(II)-one. The theme is crucial for efficacious management of neuromodulated processes, because not only Alzheimer’s disease, but also neurodegenerative disorders exhibit similar protein aggregation reactions. An in-depth understanding of interactions of oligopeptides, Cu(I/II), and Zn(II)-ions; thus, preventing Cu(II)-Ab formation improves medication administration. Scarce data on Cu(II)-oligopeptide therapeutics occur. Proteins are key macromolecules in Alzheimer’s disease pathology. This research achieves integrated knowledge of metalloproteins involved in Alzheimer’s disease and based on Cu(II)-peptide complexes. It challenges both the fundamental and applied science. In vivo processes via mimic of biomacromolecular structures entail synthetic oligopeptides joined with transition metal ions. Ternary metal-peptide complexes mimic active sites. Further, Cu(I/II)-Aβ interaction with molecular oxygen is implicated into fibrillization of Aβ-peptides as a hallmark of Alzheimer’s disease pathology. Data on Cu(I/II)-Aβ-peptide-O2 intermediates crucially fill the gap of knowledge of hCu(I/II) ions modulated Aβ-peptides reactions. In addition to aforementioned robust methods for structural analysis of chemicals, there are also utilized high accuracy approaches to quantum chemistry.