Application of mannitol in preparing medicine for treating alzheimer disease and pharmaceutical composition
A technology of Alzheimer's disease and composition, which is applied in the application of medicine and the field of pharmaceutical composition, can solve the problem of unreported mannitol anti-ADAβ pathology and other problems
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[0019] (1) Computer simulation experiment
[0020] Step 1: Construct the initial system of calculation simulation
[0021] 1.1 Download the Aβ42 monomer nuclear magnetic resonance structure (PDBID: 1Z0Q) from the protein structure database PDB (www.rcsb.org), and select the model 1 structure as the initial structure of the Aβ42 monomer (such as figure 1 shown);
[0022] 1.2 Construct its three-dimensional configuration according to the molecular formula of mannitol;
[0023] 1.3 Arrange the two Aβ42 monomer structures in parallel, and ensure that the minimum distance between the atoms of the two chains is greater than 10 angstroms
[0024] 1.4 For the mannitol-containing system, place six mannitol molecules randomly around the Aβ42 chain, and ensure that the distance between mannitol and Aβ42 atoms is greater than
[0025] 1.5 Construct a solvent box and add water molecules to the system. For a system without mannitol, the size of the solvent box is The number of wate...
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