Drug network pharmacology intelligent and quantitative analysis method and system based on network target

A technology of network pharmacology and quantitative analysis, applied in the field of drug network pharmacology intelligence and quantitative analysis and system based on network targets

Active Publication Date: 2020-01-03
TSINGHUA UNIV
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  • Application Information

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Problems solved by technology

However, there is still a lack of methods to quantitatively evaluate the intervention effect of drugs on the biological network of diseases based on the multi-scale of biomolecules-biological function-phenotype, time and space, especially how to network complex and unclear targets of traditional Chinese medicine prescriptions. There is a lack of means to evaluate intervention effects, and new methods are urgently needed

Method used

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  • Drug network pharmacology intelligent and quantitative analysis method and system based on network target
  • Drug network pharmacology intelligent and quantitative analysis method and system based on network target
  • Drug network pharmacology intelligent and quantitative analysis method and system based on network target

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Experimental program
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Effect test

Embodiment 1

[0105] Embodiment 1: Liuwei Dihuang Wan embodiment

[0106] Previous clinical studies have found that Liuwei Dihuang Pills, a famous Chinese medicine prescription, has a good clinical effect in the treatment of various complex diseases, such as inhibiting the transformation of esophagus and other digestive tract inflammation and cancer [15] , however, its intrinsic mechanism of inhibiting gastrointestinal inflammation and cancer transformation, as well as the group of active ingredients are still unclear. The inventors used UNIQ, a network target intervention effect model, for the quantitative evaluation of the drug efficacy, mechanism analysis and discovery of active ingredient groups of Liuwei Dihuang Pills, a famous Chinese medicine prescription, in inhibiting the transformation of gastrointestinal inflammation and cancer.

[0107] Through the analysis of the UNIQ algorithm, the network regulation mechanism of Liuwei Dihuang Pills in inhibiting the transformation of gastroi...

Embodiment 2

[0137] Embodiment 2: Compound Huangdai tablet embodiment

[0138] Compound Huangdai tablet has been widely reported and has good clinical effect in the treatment of acute promyelocytic leukemia, but its mechanism of action and material basis of drug effect are still not completely clear. Using the network target intervention model UNIQ proposed by the present invention, we found that the main active ingredients such as arsenic tetrasulfide, indirubin and tanshinone IIA can regulate multiple interrelated biological modules of acute promyelocytic leukemia. Furthermore, the model was used to explore the biological basis of the compatibility law of its "junchenzuoshi" and successfully found out the network intervention module of the four traditional Chinese medicines in compound Huangdai Tablets. The active ingredients contained in the monarch medicine realgar can regulate acute promyelocytic leukemia The biological network module where the fusion protein PML-RARA is located, the ...

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Abstract

The invention provides a drug network pharmacology intelligent and quantitative analysis method and system based on a network target original theory, wherein the method and system are used for measuring the overall effect of intervening a disease biological network by drugs (including various drug types such as Chinese and western drugs). The method can integrate qualitative and/or quantitative biological information related to diseases and drugs, takes the disease biological network as a target and realizes effect measurement of drug intervention on the disease biological network from the system and overall perspective, and reveals the overall action mechanism of the drugs. The method provides a qualitative and quantitative selectable measurement mode, measures the drug intervention network effect by adopting biological function multi-scale qualitative analysis and/or time-space multi-dimensional quantitative analysis, and provides a new key technique for breaking through the limitation of a traditional experience-based or single-target-based drug research mode, understanding a drug network regulation mechanism, and quickly and intelligently discovering pharmacodynamic substances, action mechanisms, curative effect objective indexes and clinical indications and the like.

Description

technical field [0001] The present invention relates to drug network pharmacological intelligence and quantitative analysis methods and systems based on network targets, which belong to the target of disease biological network, using the biomolecule-biological function-phenotype multi-scale information and / or space of diseases and drugs, Time multi-dimensional information to intelligently and quantitatively analyze the network pharmacology technology of the overall effect of drug intervention on biological networks. Background technique [0002] Diseases (including TCM syndromes) occur under the complex interaction of many factors such as environmental exposure, genetic susceptibility, and age. However, the long-term reductionist drug research model of "single gene, single target, and single drug" is difficult Reveal the overall mechanism of action of drugs on disease intervention. With the development of systems biology and network pharmacology in recent years, the origina...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C20/50G16H70/40
CPCG16H70/40G16C20/50
Inventor 李梢
Owner TSINGHUA UNIV
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