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Method for building complex drug material group in vivo and vitro associated metabolic network

A technology related to networks and substances, applied in the field of medicine, can solve the problems of large interference, lack of standard products, lack of effective data analysis methods, etc., and achieve the effect of large interference

Inactive Publication Date: 2012-08-01
CHINA PHARM UNIV
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Problems solved by technology

[0004] Technical problem: The present invention proposes for the first time a method for complex medicines to solve the problems of low concentration, large interference, lack of standard products, difficult detection, widely unknown metabolic pathways, complex data, and lack of effective data analysis means for the complex components of Chinese herbal medicines in biological matrices. Efficient, rapid and automated analysis method for metabolite detection, metabolic pathway prediction and "prototype component-metabolite" association network construction of components in complex matrices

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  • Method for building complex drug material group in vivo and vitro associated metabolic network
  • Method for building complex drug material group in vivo and vitro associated metabolic network
  • Method for building complex drug material group in vivo and vitro associated metabolic network

Examples

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Embodiment 1

[0022] Example 1: Association network analysis of "prototype components-metabolites" of Mailuoning injection in rat urine

[0023] This embodiment is carried out on the premise of this technical solution, and the detailed implementation and operation process are given, but the protection scope of the present invention is not limited to the following embodiments.

[0024] 1. Animal experiment protocol

[0025] Take 10 SD rats and place them in metabolic cages, fasting but free to drink water overnight, inject Mailuoning injection into the tail vein at a dose of 10mL kg -24h urine, stored at -20°C.

[0026] 2. Sample pretreatment

[0027] After mixing the urine at each time point with equal volumes of 0.5% ammonia water, the samples were loaded onto the activated MAX column, washed with 50% ammonia water and methanol, and then eluted with 90% methanol (containing 5% formic acid). After the eluate was evaporated to dryness, it was dissolved with 90% methanol (containing 5% for...

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Abstract

The invention provides a method for fast detecting metabolites with complex compositions, stepwise and classifiedly widely forecasting metabolic pathways and comprehensively building a 'prototype component-metabolite' associated network aiming at problems that complex compositions are low in concentration, large in interference, wide in metabolizing, lack of standard substances, numerous and jumbled in data and difficult to analyze in biological matrixes. The method includes the following steps: 1 preparation and biological sample preparing, 2 multi-stage mass spectrometric detection, 3 essential component selection and interference suppressing, 4 internal prototype component confirmation, 5 material group in vivo and vitro associated network building, and 6 metabolic pathway forecasting and confirmation, and metabolite structure identification. All the steps can achieve automated operation by aid of computer programming and are easy and convenient to operate, accurate and efficient. The method does not rely on standard reference substances or prototype component structures, solves the technical problem of 'not targeted' whole composition analysis and pesticide effect substance basic explanation of single or complex drugs in vitro, and is suitable for research in various fields including environment, medical professionals and food.

Description

technical field [0001] The invention belongs to the field of medicine, and relates to the rapid detection of complex component metabolites of drugs, the step-by-step classification and extensive prediction of metabolic pathways, and the comprehensive construction of a "prototype component-metabolite" association network. Background technique [0002] Traditional Chinese medicine is a treasure of traditional Chinese medicine, but the current research on Chinese medicine at home and abroad cannot systematically and clearly clarify the relationship between the complex components of traditional Chinese medicine and their metabolites, and lacks corresponding theoretical and technical support. Therefore, the process in the body of traditional Chinese medicine has long been regarded as The "black box" is the main bottleneck in the modernization research of traditional Chinese medicine. Lack of knowledge about biodisposal is one of the major barriers to providing evidence for effica...

Claims

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Application Information

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IPC IPC(8): G06F19/12
Inventor 王广基郝海平龚平张勇孙世顷
Owner CHINA PHARM UNIV
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