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Novel medicine in-vitro incubation, metabolite searching, medicine-medicine interaction prediction quick screening and analysis integrated strategy

A drug body and metabolite technology, applied in the field of new drug incubation in vitro, metabolite search, drug-drug interaction prediction rapid screening and analysis integration strategy, can solve the problems of large number of samples, high cost and low efficiency, etc. To achieve the effect of reducing interactions, reducing research costs, and improving research efficiency

Inactive Publication Date: 2017-05-31
CHINA PHARM UNIV
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  • Abstract
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  • Claims
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Problems solved by technology

The process needs to be carried out step by step, and the number of samples is huge, the efficiency is low, and the cost is high

Method used

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  • Novel medicine in-vitro incubation, metabolite searching, medicine-medicine interaction prediction quick screening and analysis integrated strategy
  • Novel medicine in-vitro incubation, metabolite searching, medicine-medicine interaction prediction quick screening and analysis integrated strategy
  • Novel medicine in-vitro incubation, metabolite searching, medicine-medicine interaction prediction quick screening and analysis integrated strategy

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Embodiment Construction

[0023] The present invention is explained in detail by the following examples, but it does not mean that the present invention is limited thereto.

[0024] 1 Establishment of detection method

[0025] 1.1 Chromatographic conditions

[0026] The HPLC system consists of a Shimadzu DGU-20A5 online degasser, two Shimadzu LC-30AD pumps, a Shimadzu CTO-20A column thermostat, and a Shimadzu SIL-30AC autosampler. In the process of chromatographic separation, the chromatographic column used is Kromasil 100-5C 18 Column (150×2.1mm); mobile phase is 0.5‰ formic acid (A) and acetonitrile (B); gradient elution is used in the elution process, and the gradient is shown in Table 2; column temperature is set at 40°C; flow rate is 0.7ml / min .

[0027] Table 1 Gradient elution program in chromatographic separation process

[0028]

[0029] 1.2 Mass Spectrometry Conditions

[0030] Mass spectrometry detection uses a high-resolution LC-Q-TOF / MS mass spectrometer detector, using an electros...

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Abstract

The invention discloses a method of quickly searching an in-vitro metabolite of a target compound and researching the subtype of a metabolic enzyme thereof by means of in-vitro human liver microsome incubation with combination of LC-Q-TOF / MS detection. The method is mainly used for researching of medicine-medicine interaction and mainly includes the steps of in-vitro incubating the target compound by the human liver microsomes, performing data collection and quick analysis to a sample by means of LC-Q-TOF / MS, and quickly searching the metabolites of the target compound and determining the subtype of the metabolic enzyme participating in the metabolism thereof. The method comprehensively considers the in-vitro human liver microsome incubation conditions and conditions of chromatography and mass spectrum data collection. In addition, with combination of related software for quickly analyzing the data, the metabolite of the target compound can be more accurately and quickly searched and found, and the subtype of the metabolic enzyme participating in the metabolism can be comprehensively determined, thus providing evidence for researching the medicine-medicine interaction.

Description

technical field [0001] The present invention relates to a method for rapid search and identification of in vitro metabolites of target compounds and identification of metabolic enzyme subtypes, and specifically relates to the use of LC-Q-TOF / MS analysis of target compounds in vitro for human liver microsome body temperature incubation samples to find and identify specific compounds, and The metabolic enzyme subtype of the target compound was judged according to the decrease in the amount of specific metabolites after co-incubation of the target compound with human liver microsomes and inhibitors of each characteristic metabolic enzyme subtype. As a basis for studying drug-drug interactions. Background technique [0002] The metabolic process of drugs is mainly catalyzed by enzymes, and the most important enzyme is the cytochrome P450 (CYP450) enzyme in the liver. There are obvious polymorphisms in the activity of CYP450 enzymes, and it will be affected by many factors, such...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N30/02
Inventor 王广基孙建国仲云熙金孝亮彭英王瑜桑花欧阳冰琛谷世寅阿基业
Owner CHINA PHARM UNIV
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