Method for preparing screening spare library of natural product mixture medicament such as Chinese traditional medicine and application thereof

A technology of natural products and mixtures, applied in the direction of organic compound library, library screening, library, etc., can solve the problems of slow, unguaranteed compounds, low efficiency and so on

Active Publication Date: 2008-01-16
NANKAI UNIV +2
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0014] But this method also has its own limitations: first, the groups with smaller molecular weight are not easy to mix with the small molecules (such as DMSO) existing in the crystallization solution in the electron density of low resolution (resolution below 2.5 Ȧ). etc.), ions (such as acid radical ions, etc.), etc., so the crystal quality of the target protein is required to be high, which greatly limits the scope of the target protein; secondly, small molecules that can exist stably and have a molecular weight of 200Da The types of groups are limited, and there are only hundreds to thousands of components in the candidate libraries currently used for structural screening, which greatly limits the possibility of hits; again, this screening method will not be able to synthesize many , Natural products that cannot be decomposed into basic groups are excluded from the scope of drug screening, limiting the scope of screening
Not only is the process slow, inefficient, and labor-intensive, but there is also no guarantee that the compounds screened will be chemically feasible

Method used

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  • Method for preparing screening spare library of natural product mixture medicament such as Chinese traditional medicine and application thereof
  • Method for preparing screening spare library of natural product mixture medicament such as Chinese traditional medicine and application thereof
  • Method for preparing screening spare library of natural product mixture medicament such as Chinese traditional medicine and application thereof

Examples

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Effect test

Embodiment 1

[0104] Preparation of samples in candidate libraries for drug screening of natural product mixtures (primary raw materials are natural products of traditional medicinal materials or medicinal materials that have not been developed for medicinal purposes)

[0105] Preparation of Candidate Samples of Natural Product Mixtures from Sichuan-Tibetan Fragrant Tea Vegetables (I.pharicus (Prain) Murata) 1 Preparation of Extract Extract:

[0106] Take 500 grams of dried and pulverized Sichuan-Tibet fragrant tea and vegetable medicinal materials, extract with 4500 ml of 95% ethanol under reflux, extract 3 times, each time for 2 hours, combine the extracts, and concentrate to obtain the extract;

[0107] 2 to obtain ethyl acetate part:

[0108] Weigh 10.5 grams of this extract, suspend it with 85 milliliters of double distilled water, pour it into a 1000 milliliter separatory funnel, and extract it with ethyl acetate. 850 ml of ethyl acetate was used for each extraction, shaken thoroughl...

Embodiment 2

[0114] Preparation of natural product mixture samples from candidate library for drug screening using traditional Chinese medicine prescriptions as primary raw materials

[0115] Preparation of Candidate Samples of Natural Product Mixtures Derived from Traditional Chinese Medicine Prescription "Wuwei Xiaoxiaoyin" (prescription in "Yi Zong Jin Jian" by Wu Qian in Qing Dynasty)

[0116] 1. Preparation of extract extract:

[0117] According to the types of medicinal materials and three times the dosage specified in the prescription of "Wuwei Xiaoxiaoyin": 60g of honeysuckle, 45g of wild chrysanthemum, 45g of dandelion, 45g of Viola chinensis, and 45g of Zihuazizizi to form the primary raw materials, and reflux extraction with 2000ml of 95% ethanol, Extract 3 times, 2 hours each time, combine the extracts, concentrate to get the extract 1; in addition, according to the type and amount of medicinal materials specified in the prescription, form the primary raw material, decoct 3 tim...

Embodiment 3

[0126] Preparation of samples in candidate libraries for drug screening of natural product mixtures derived from marine organisms

[0127] Preparation of Candidate Samples of Natural Product Mixtures Derived from Turpentine Algae

[0128] 1. Preparation of extract extract:

[0129] Take 600 grams of dry and pulverized seaweed-Spine knotweed, extract with 4800 ml of 95% ethanol under reflux, extract 3 times, each time for 2 hours, combine the extracts, and concentrate to obtain the extract;

[0130] 2 to obtain ethyl acetate part:

[0131] Weigh 10.0 g of this extract, suspend it with 100 ml of double distilled water, pour it into a 1000 ml separatory funnel, and extract it with ethyl acetate. 800 ml of ethyl acetate was used for each extraction, shaken thoroughly, and allowed to stand for 5 hours to separate the layers. A total of 6 extractions were performed, and the ethyl acetate extracts were combined. After the extraction, the ethyl acetate phase and the water phase we...

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Abstract

The invention provides a preparation method of secondary metabolite mixture drug screening library for the drug screening based on protein crystal structure and the use of the drug screening library for screening drugs based on protein crystal structure. The preparation method is high in efficiency, rapid, accurate, reliable and practicable. By optimizing the raw medicines, the method avoids interference components and retains other components of the raw medicine. The inventive drug screening library helps to rapidly obtain a refined three-dimensional structure of a composite of target molecule and target protein.

Description

technical field [0001] The present invention relates to a method for preparing a drug screening candidate library and its application, more specifically, to a method for preparing a drug screening candidate library for a natural product mixture derived from traditional Chinese medicines, which is used for drug screening based on protein crystal structure and its application. Background technique [0002] Natural products, also known as secondary metabolites (Secondary Metabolites), have structural diversity and biological activity diversity. Natural products and their derivatives have played an unlimited role in the treatment of diseases in the past, and are also one of the most potential resources in the current drug development process (Newman DJ, GraggGM, Snader KM.Nat Prod Rep, 2000, 17( 3): 215-234; Lee K-H. J Nat Prod. 2004, 67(2): 273-283). However, in the past 10 years, the research interest of natural products in the pharmaceutical industry has declined, mainly du...

Claims

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Application Information

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IPC IPC(8): C40B40/04C40B50/00C40B30/04
Inventor 饶子和娄智勇孙玉娜马明
Owner NANKAI UNIV
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