A systemic pharmacology analysis platform and analysis method of traditional Chinese medicine
An analytical method, a pharmacological technique, applied in the fields of electrical digital data processing, special data processing applications, instruments, etc., which can solve problems such as limitations, not being collected, etc.
Inactive Publication Date: 2016-12-28
NORTHWEST A & F UNIV
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Different from the above two methods, the text-mining-based virtual screening method collects and utilizes the correlation between compounds and compounds, compounds and proteins, proteins and proteins, and even genes and genes in the previous literature to identify new drug-target pairs. Inferences are made, and the information may not have been collected due to limitations of computer algorithms.
What's more, the computational efficiency of such algorithms is also limited by the redundancy of compound, protein and gene names in the literature
Therefore, the application of the above three virtual screening methods on a genome-wide scale has always been flawed to a certain extent.
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[0042] The system pharmacology analysis platform of the substance basis and action mechanism of traditional Chinese medicines of the present invention includes a system pharmacology database module of traditional Chinese medicines, a target point prediction software package module and a network construction module. The system pharmacology database module of traditional Chinese medicine includes text mining, oral availability prediction (P-gp substrate / inhibitor evaluation, P450 inhibition / metabolite prediction), drug-like prediction, intestinal epithelial permeability prediction, water solubility prediction, Blood-brain barrier prediction and toxicity prediction (hepatotoxicity, carcinogenic and teratogenic toxicity, BCF prediction); network construction modules include drug-target prediction technology, network construction analysis technology and target-disease network construction technology.
[0043] The self-developed TcmSP (Traditional Chinese Medicine Systems Pharmacolog...
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The invention provides an analysis platform and an analysis method of pharmacology of a traditional Chinese medicine system. The analysis platform comprises a database module of the pharmacology of the traditional Chinese medicine system, a target point prediction software package module and a network construction module. The database module of the pharmacology of the traditional Chinese medicine system comprises text mining, drug-likeness prediction, intestinal epithelium permeability prediction, water-solubility prediction, blood brain barrier prediction, toxic and side effect prediction, and the like. The network construction module comprises a drug and target point prediction technology, a network construction analysis technology and a target point and disease network construction technology. From the positive direction, the invention provides a prediction method from traditional Chinese medicine, active compound to a target and relevant diseases. Meanwhile, from the negative direction, the invention provides a prediction and analysis method from the diseases, searching of the target, to active ingredients and belonged traditional Chinese medicine. Convenience is brought for research of the modern pharmacology of the traditional Chinese medicine, modification of old drugs, design of new drugs, components of the new drugs, and the like.
Description
technical field [0001] The present invention relates to the field of the effective substance basis of traditional Chinese medicine, in particular to the field of analysis of the mechanism of action of the effective substance of traditional Chinese medicine, and in particular to a system pharmacology analysis platform and analysis method for the basis and mechanism of the effective substance of traditional Chinese medicine. Background technique [0002] In recent years, with the continuous improvement of drug research and development requirements, new drug research and development is facing great difficulties. In the past ten years, drug design has mainly adopted single-target high-selectivity drug design related to diseases, with the concept of "one drug, One target, one disease” is the dominant idea, but this highly selective new drug design has increased the failure rate of clinical trials. The single-target high-selectivity new drug development idea has encountered challen...
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IPC IPC(8): G06F19/00
Inventor 王永华裴梦婕黄超汪纪楠周伟徐雪汝锦龙
Owner NORTHWEST A & F UNIV