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

A DHCR24, dehydrocholesterol technology, applied in special data processing applications, instruments, electrical digital data processing, etc., can solve the problems of high cost and less than 10% success rate, and achieve the effect of improving efficiency and shortening the research and development cycle.
CN106909785AActive Publication Date: 2017-06-30LIAONING UNIVERSITY
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Patent Information

Authority / Receiving Office
CN · China
Current Assignee / Owner
LIAONING UNIVERSITY
Publication Date
2017-06-30

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Abstract

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.
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Description

technical field

[0001] The present invention relates to a drug screening method, especially taking 24-dehydrocholesterol reductase (3β-dehydrocholesterol-Δ24 reductase, 3β-hydroxysterolΔ-24-reductase, DHCR24) as the target, and using molecular docking software to detect small molecules A method for virtual screening of cholesterol-lowering drugs against databases. Background technique

[0002] Cholesterol is an indispensable and important substance for human tissue cells, but excessive cholesterol levels can induce diseases, especially cardiovascular diseases. May 2016 is my country's first "Cholesterol Month". According to the latest data from the "China Cardiovascular Disease Report 2014", there are about 290 million patients with cardiovascular disease in my country, and the prevalence rate is still rising. The rising trend of cardiovascular disease mortality in my country is mainly due to the rise of ischemic heart disease death caused by cholesterol. According to res...

Claims

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