Molecular Simulator Enables Study of Alzheimer's Therapeutics
Alzheimer’s disease is triggered by the accumulation of amyloid-β (small fragments of proteins) in the brain. Secretase inhibitors are drugs able to suppress the production of amyloid-β, but these drugs present possible side effects. By using a new molecular simulator, a group of scientists has investigated the possible therapeutic effects of curcumin, a substance found in the spice turmeric. The scientists analyzed the specific interactions occurring between curcumin and the amyloid precursor protein (the precursor molecule to amyloid-β). This new simulator will enable scientists to better understand the mechanisms of action of novel therapeutic compounds that may be useful to treating Alzheimer's disease.
Ishimura H, Kadoya R, Suzuki T, Murakawa T, Shulga S, Kurita N. Specific interactions between amyloid-β peptide and curcumin derivatives: Ab initio molecular simulations. Chemical Physics Letters. 2015;633:139-145.
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