Application of baicalein and derivative 6,7-diacetyl radix scutellariae thereof
A technology of diacetyl baicalein and its derivatives, which is applied in the direction of medical preparations containing active ingredients, drug combinations, and pharmaceutical formulas, etc., to achieve the effect of improving bioavailability
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[0036] Example 1. Pharmacodynamic test of 6,7-diacetylbaicalein in preventing and treating hyperuricemia and the kidney damage caused by it
[0037] 1. Computer simulation predicts the combination of XOR and baicalein
[0038] Software: SYBYL 6.92, Chimera, Microsoft Excel, database: Protein Data Bank. Download the three-dimensional structure of the protein Xanthine Dehydrogenase from Bovine Milk with InhibitorTEI-6720Bound (PDB ID: 1N5X) from the PDB database (which contains the structure of the original ligand TEI). The ligand and receptor were split with Chimera and the receptor protein was saved as a file in PDB format. Use SYBYL software to draw the ligand TEI structure and save it in mol2 format. Put the 2 pdb and 1 mol2 files into a new folder for later use. Open the SYBYL software, import the 1N5X.pdb file (including meta-ligands), delete the B chain, and leave only the A chain as the docking material. Select the natural ligand TEI, and generate an active site pock...
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