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52 results about "Dehydrocholesterols" patented technology

Method for virtually screening cholesterol degrading medicine with 24-dehydrocholesterol reductase (DHCR24) being target point

ActiveCN106909785AImprove bindingFast and effective concentrationMolecular entity identificationMolecular designCholesterol reductaseSmall molecule ligand
The invention relates to a method for virtually screening cholesterol degrading medicine with 24-dehydrocholesterol reductase (DHCR24) being a target point. The method includes the steps that 1, the molecular structure of DHCR24 is determined; 2, molecular docking software is adopted, the active center of macromolecular docking of the medicine is determined according to a combined pocket which is formed after desmosterol and DHCR24 are docked, and an active pocket is set; 3, a macromolecular ligand databse used for docking is arranged; 4, according to the set active pocket, by the utilization of the molecular docking software, macromolecular ligands in the macromolecular ligand database used for docking and the active pocket are docked in sequence; 5, results which are screened after primary docking are accurately docked, and the candidate medicine having the effect of cholesterol degrading are determined. By the adoption of the method, within short time, the macromolecular candidate medicine which has the effect of competitive restraining of DHCR24 and is developed into the novel cholesterol degrading medicine is obtained, in this way, the research and development efficiency is greatly improved, and the research period of new medicine is shortened.
Owner:LIAONING UNIVERSITY
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