Molecular modeling on Zn(II) binding modes of Alzheimer?s amyloid ?-peptide in insoluble aggregates and soluble complexes

Aggregation of the amyloid β-peptide (Aβ) into insoluble fibrils is a key pathological event in Alzheimer’s disease. Zn(II) ion induces significant Aβ aggregation at nearly physiological concentrations in vitro. In order to explore the induce mechanism, the possible binding modes of Zn(II) in Aβ peptide are studied by molecular modeling method. First, the Aβ species containing 1,2,4 and 12 peptides are established respectively. And next a Zn(II)...