CN108154929A - A kind of parsing disease and the method for screening drug and its application in traditional Chinese medical science robot - Google Patents
A kind of parsing disease and the method for screening drug and its application in traditional Chinese medical science robot Download PDFInfo
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Abstract
The present invention discloses a kind of method for parsing disease and screening drug, this method includes D Man life simulation models and I Drug effective prescription models, it is the overall process by D Man models and I Drug model analyzings " life cells nuclear receptor gene life mechanism " from macroscopic view to Micro Analysis, the method for establishing disease parsing and drug screening；The system includes doctor trained in Western medicine analysis module, tcm diagnosis module and I Drug Formulation modules.The present invention is by D Man models and I Drug models using traditional Chinese medical science robotic diagnostic system as carrier, construct the system of a complete disease parsing and drug screening, generation, development from molecular mechanism parsing disease, and filter out targeted molecular prescriptions of traditional Chinese medicine, completely new combination of Chinese tradiational and Western medicine diagnose and treat is formed, promotes Development of Traditional Chinese Medicine modernization, scientific and standardization；Personalized medical treatment, diagnosis, therapy system are realized, is of great significance to the development of disease parsing, drug screening, pharmacy and the modernization of Chinese medicine.
Description
Technical field：
The invention belongs to technical field of life science, more particularly to a kind of method for parsing disease and screening drug and its
The application of traditional Chinese medical science robot.
Background technology：
Chinese and Western medicine all has indelible effect in human history, but Chinese and Western medicine medical model is not
Together, basic theories is different, diagnostic mode is also different, respectively there is advantage and disadvantage.Doctor trained in Western medicine carrys out branch according to physiological system and organ, with cell
The subjects such as biology, molecular pharmacology, molecular biology, biochemistry, pathology are theoretical foundation, and the gene that can go directly divides
The ultramicroscopic views structure such as son.But doctor trained in Western medicine is merely come by the medical science of the mankind to anti-disease, the egodefense of human body, self repaiies
Reactivation power is put into secondary status or even ignores its presence, so that generating numerous side effects.The traditional Chinese medical science refers to by theory of Overall View
It leads, is diagnosed the illness by the four methods of diagnosis, the classification of disease is based on viscera function and the great cause of disease, relatively roughly, it is impossible to use
Modern science is explained.
At present, it with the rapid development of life science and AI technologies, is completed on the basis of genome sequence close by life
Code arrives the research of life process, by molecules various in organism discriminating and its interaction research to approach, network, mould
Block is finally completed the route map of entire vital movement, opens realization to the Micro Analysis of life and life mechanism is probed into.
For this purpose, applicant's offer is a kind of to parse theory of traditional Chinese medical science on the basis of life mechanism is known clearly by the method for doctor trained in Western medicine, make traditional Chinese medical science table
Sign (phenotype) is corresponding with corresponding gene, and theory of traditional Chinese medical science is parsed from ultramicroscopic view level, and theory of traditional Chinese medical science standardization is made to have science, and
By the parsing to life mechanism, drug target and mechanism of action are explored, in realizing that " mechanism-target spot-ingredient " is specific
Medicinal medicine new method.
Invention content：
The purpose of the present invention is intended to provide a kind of system and method for parsing disease and screening drug, and this method passes through D-
Man and I-Drug model analyzings disease and screening drug, based on the parsing life mechanism of west life science, by the traditional Chinese medical science
Characterization obtained by " four methods of diagnosis " explains that parsing traditional Chinese medical science picture dot element probes into the essence of disease, and pass through gene with modern science and technology
Sequencing navigates to gene, and the drug that nuclear receptor is regulated and controled by screening realizes accurate targeted therapy.
Another object of the present invention is that this method is applied to traditional Chinese medical science robot, the intelligent diagnostics based on traditional Chinese medical science robot
System realizes that intelligent Formulation is completed in the screening of the medicinal medicine of centering, is finally reached and is carried for traditional Chinese medical science robotic diagnostic and treatment disease
For foundation and method.
In order to achieve the above objectives, the present invention takes following technical scheme：
For by D-Man and I-Drug model analyzings disease and the method for screening drug, this method to include D-Man life
Simulation model and I-Drug effective prescription models, by D-Man models and I-Drug model analyzing life entities " life-cell-
Overall process of the nuclear receptor-gene-life mechanism " from macroscopic view to Micro Analysis, the method for establishing disease parsing and drug screening.Tool
Body is as follows：
1.D-Man life simulation model is referred to as " D-Man models "
D-Man models are mainly served as theme with " nuclear receptor-life mechanism-regulatory factor ", by traditional Chinese medical science robot
" analysis " " gushes " confluence analysis of database, the database specifically include structured data, biological data, system group data,
The various data such as life big data.The relationship between the substance, energy, information of life entity internal operation is parsed, discloses life fortune
Row mechanism.
Nuclear receptor is a kind of transcription regulaton factor, can be by adjusting gene expression, activating or inhibiting turning for specific target gene
Record, so as to play a significant role in the growth and development of body, metabolism, cell differentiation and in vivo in many physiology courses.Base
Because being the DNA molecular segment with hereditary effect, biological volume property is controlled by controlling the synthesis of enzyme and the structure of protein
(phenotype), the information that phenotype generates become regulatory factor and nuclear receptor are regulated and controled in vivo by a series of variations, and core by
Controlling gene makes protein expression to body again, forms phenotypic information stimulation regulation and control nuclear receptor after protein expression again.So it is repeatedly
For life mechanism.
Therefore, parsing life is deep into endonuclear nuclear receptor since life basic structure cell and is deep into base again
Cause is held the central dogma in organism, is realized to life mechanism from macroscopic view to microcosmic lump-sum analysis, and then clear and definite life
The mechanism of operating mechanism and disease, therefore D-Man life simulation models are parse life mechanism and disease mechanism one
Kind method.
2.I-Drug effective prescription model abbreviations " I-Drug models "
I-Drug models are mainly served as theme with " life-life mechanism-regulatory factor ", by D-Man models to life machine
The parsing of system, find the target spot of regulation and control life and screening determine to the effective effective component of chinese medicine of specific target spot and function because
Son.
From central dogma：A kind of normal phenotype corresponds to a kind of normal genotype, and a kind of abnormal phenotype corresponds to a kind of different
Normal genotype, disease are typical abnormal phenotypes, and therefore, all diseases of the mankind can be considered genopathy, can logically push away
Each fixed disease all exists and the corresponding genotype of its abnormal phenotype.And nuclear receptor has the activation to genetic transcription,
Corresponding target protein and nuclear receptor can be navigated to by gene sequencing, using nuclear receptor as drug screening target spot, design can modify
The drug of the small molecule combined with nuclear receptor makes the expression normalization of nuclear receptor controlling gene, so as to regulate and control relevant disease such as generation
Thanking property disease, cancer, osteoporosis, obesity, diabetes etc..Therefore, I-Drug models are the molecular mechanism and biomolecule of medicine
The connected applications of mechanism, for disclose life is digitized by parsing life mechanism after screen corresponding targeting medicine (molecule again
Chinese medicine) principle and method, by the combination with database and the diagnosis and treatment of traditional Chinese medical science robot, so reach life regulation and control
Purpose.
3. traditional Chinese medical science robotic diagnostic system is applied to based on D-Man and I-Drug models
The structured data for being stored in traditional Chinese medical science robot, biological information, system group and life big data are input to D-Man
In I-Drug models, it is computed that life (disease) parsing can be achieved, these data are to probe into life mechanism from macroscopic view to microcosmic
By Method means and master database.
(1) structured data
Structured data is the base substance for forming organization of human body, if cell membrane is mainly made of lipid, protein and carbohydrate,
Each component content respectively may be about 50%, 40%, 2%-10%.Wherein, the main component of lipid is phosphatide and cholesterol.In addition,
Also containing a small amount of moisture, inorganic salts and metal ion etc. in cell membrane.The aspect that the chemical composition of chromosome is big is by DNA and egg
White matter forms, and small aspect is made of deoxyribose, nitrogenous base, phosphoric acid and amino acid (or protein).Structured data is made
It is basic for parsing the structure of matter of life entity different parts different tissues for the basis of life MECHANISM SOLUTION analysis.
(2) biological information
Biological information includes the various biological informations during biological cell, tissue, the physiology of organ, pathology, pharmacology
And biological data, such as blood pressure, heart rate, electrocardiogram, the physiological and biochemical indexs such as height, weight, blood glucose.From numerous points of biological information
Detailed and system the understanding to life operating mechanism is obtained in scattered biological observations data, understanding biological nature and understanding are given birth to
The tissue and structure of object molecular information so as to decode genomic information, illustrate the relationship between biological information, for identifying and reflecting
Determine the related gene of mankind's specified disease, the diagnose and treat for disease provides foundation.
(3) system group
System group is various points in cell, tissue, organ and organism integral level research structure and Various Functions
Son and interaction, and by calculation biology come quantitative description and prediction biological function, the method for phenotype and behavior.In gene
The research by encrypted life to life process is completed on the basis of group sequence, is a process gradually integrated, by organism
The research of discriminating and its interaction of various molecules is finally completed the route of entire vital movement to approach, network, module
Figure.By the method for system group by means of the sequence of genome and transcript profile, functional genome and protein group, for drawing
The positioning of the transcription group picture, protein group picture, interact collection of illustrative plates, phenotype group picture and all transcripts and albumen of specific organism
Figure.
(4) life big data
Life big data is various life datas, including different dimensionals such as genomic data, medical records data, physiological datas
The data of degree are the life decoding data libraries of a magnanimity.Life mechanism can be parsed by grasping life big data, allow life mechanism
Digitization makes medical treatment ＆ health become more intelligent, so as to fulfill life data and open medicine from " treatment " to " prevention " when
Generation.
Using traditional Chinese medical science intelligent robot diagnostic system as carrier, the above method and database are used to implement life parsing and medicine
The basis of object screening realizes that be resolved to medical diagnosis on disease from disease selects medicine and the overall process treated to targeting again, builds one as a result,
Complete disease parsing and the system of drug screening, be traditional Chinese medical science robot precisely the key point of diagnosis and accurate medication and
The important embodiment of TCM Modernization.
The present invention is based on the traditional Chinese medical science robotic diagnostic system of D-Man and I-Drug models, including doctor trained in Western medicine analysis module, the traditional Chinese medical science
Diagnostic module and I-Drug Formulation modules, specially：
Doctor trained in Western medicine analysis module, including analyse, gush with D-Man models, for by life (disease) molecular mechanism level solution
The data that analysis obtains are input to traditional Chinese medical science intelligent robot diagnostic model and carry out disease parsing and diagnosis.It is to obtain life solution to analyse and gush
Analyse the ways and means of data.Analysis by the technological means such as genomics, proteomics, system group, molecular biology and
Analysis method parsing organization of human body, exploration biological information obtain organization of human body database, biomolecule information database, system group number
According to library.It is to realize parsing life (disease) and by life (disease) digitized process；It gushes through various monitoring devices to life
Sign Index and biochemical indicator carry out continuously monitoring and analyzing the continuous dynamic data of generation in a period of time, are realized to life
The process continuously monitored of (disease) body contributes to the accurate parsing of life (disease).
Tcm diagnosis module by acquiring the data for hoping, hearing, ask, cutting, is input to traditional Chinese medical science robot Chinese medical discrimination and calculates mould
In type, diagnosis is made to disease；And doctor trained in Western medicine analysis module can be by tcm diagnosis and doctor trained in Western medicine point by the parsing to life (disease)
The unicom of analysis is mutually melted, and realizes that the science of the traditional Chinese medical science is parsed and standardized.
I-Drug Formulation modules are used as the foundation of screening by the molecule Chinese medicine target spot of acquisition, are parsed according to disease
As a result, accordingly find Disease-causing gene and regulate and control the nuclear receptor of the gene, filter out the molecule Chinese medicine of the controllable nuclear receptor,
And generate completely new prescription.
Based on the traditional Chinese medical science robot of D-Man and I-Drug models by above-mentioned doctor trained in Western medicine analysis module, tcm diagnosis module and
The related data of I-Drug Formulation modules is imported to the intelligent diagnosis system, the final common comprehensive diagnos for completing disease and
Treatment.
Its essence is known by presentation, parsing traditional Chinese medical science picture dot is plain, probes into the essence of disease.It is according to TCM basis that the traditional Chinese medical science, which is cured the disease,
Theory is parsed and is described to disease from macroscopic view and system level, is characterized (phenotype) from " four methods of diagnosis " further to visit
Study carefully the pests occurrence rule of disease, Disease Essence can not be deep into.Therefore, the traditional Chinese medical science needs the new theoretical system from presentation to essence
And analytic method, the present invention have reached this target by doctor trained in Western medicine theory and method.Exception can be positioned by gene sequencing technology
Gene, nuclear receptor are the key that regulating DNA transcription and gene expression target spot, and therefore, the present invention is knowing life clearly from macroscopic view to micro-
After seeing the biological mechanism of ultramicroscopic view, the function factor for regulating and controlling nuclear receptor in Chinese medicine is found by network pharmaceutical practice, it should
Function factor is that active ingredient can play the role of effectively treating the disease.In conclusion the Chinese medicine function factor filtered out
By acting on nuclear receptor realization to the Targeted-control of gene expression, make protein expression normalization, reach treatment disease, regulation and control
The purpose of life.For this purpose, the traditional Chinese medical science intelligent robot diagnostic system the present invention is based on D-Man and I-Drug models passes through life machine
The comprehensive analysis of system parsing, the parsing of molecule Chinese medicine target spot and tcm diagnosis, obtains in diseases analysis result and system targeted molecular
Effective prescription.
The beneficial effects of the present invention are：
The method of the present invention passes through I- by D-Man model analyzings life mechanism and the pathogenetic molecular mechanism of disease
Drug models specify the control target spot of disease, and the screening Jing Guo network pharmacology method further determined to specific target spot
Effective effective component of chinese medicine and function factor, using traditional Chinese medical science robotic diagnostic system as carrier, construct a complete disease
Parsing and the system of drug screening, therefore, generation, development from molecular mechanism parsing disease, and filter out targeted molecular Chinese medicine
Prescription forms completely new combination of Chinese tradiational and Western medicine diagnose and treat, promotes Development of Traditional Chinese Medicine modernization, scientific and standardization.Meanwhile
Traditional Chinese medical science intelligent robot diagnostic system the present invention is based on D-Man and I-Drug models is realized based on human life mechanism
Personalized medical treatment, diagnosis, therapy system, are of great significance to the development of drug screening, pharmacy and the modernization of Chinese medicine.
Description of the drawings：
Fig. 1 is the schematic diagram of D-Man and I-Drug models in the present invention；
Fig. 2 is the structure diagram of the traditional Chinese medical science robotic diagnostic system the present invention is based on D-Man and I-Drug models.
Specific embodiment：
Below in conjunction with the accompanying drawings and the present invention is described in more detail in specific embodiment, in order to make the public
It more fully understands the technology contents, and is not the limitation to technical solution.
As shown in Figure 1, the present invention is used for through method of the D-Man and I-Drug model analyzings disease with screening drug, it should
Method includes D-Man life simulation model and I-Drug effective prescription models, is given birth to by D-Man models and I-Drug model analyzings
Order " life-cell-nuclear receptor-gene-life mechanism " overall process from macroscopic view to Micro Analysis of body, establish disease parsing and
The method of drug screening.It is as follows：
(1) life mechanism and disease mechanism are parsed by D-Man life simulation model, mainly with " nuclear receptor-life
Mechanism-regulatory factor " is served as theme, from the research to nuclear receptor to the parsing of life mechanism and to structured data, biological information number
According to, the confluence analysis of system group data, the various data of life big data, for disclosing the substance of life entity internal operation, energy
Relationship between amount, information.
(2) D-Man models are utilized to life mechanism and the pathogenetic molecular mechanism of disease by I-Drug effective prescription models
Parsing as a result, main served as theme with " life-life mechanism-regulatory factor ", find the target spot of regulation and control life and screen and determine
Go out to the effective effective component of chinese medicine of specific target spot and function factor.
(3) the big number of structured data, biological information, system group and life that will be obtained by D-Man and I-Drug models
According to being stored in traditional Chinese medical science intelligent robot diagnostic system, realize from disease be resolved to medical diagnosis on disease again to targeting select medicine and treat
Overall process completes the accurate diagnosis of traditional Chinese medical science robot and accurate medication.
As shown in Fig. 2, the present invention is based on the traditional Chinese medical science robotic diagnostic system of D-Man and I-Drug models, including doctor trained in Western medicine point
Module, tcm diagnosis module and I-Drug Formulation modules are analysed, it is specific as follows：
Doctor trained in Western medicine analysis module, including analyse, gush with D-Man models, for by life (disease) molecular mechanism level solution
The data that analysis obtains are input to traditional Chinese medical science intelligent robot diagnostic model and carry out disease parsing and diagnosis.It is to obtain life solution to analyse and gush
Analyse the ways and means of data.Analysis by the technological means such as genomics, proteomics, system group, molecular biology and
Analysis method parsing organization of human body, exploration biological information obtain organization of human body database, biomolecule information database, system group number
According to library.It is to realize parsing life (disease) and by life (disease) digitized process；It gushes through various monitoring devices to life
Sign Index and biochemical indicator carry out continuously monitoring and analyzing the continuous dynamic data of generation in a period of time, are realized to life
The process continuously monitored of (disease) body contributes to the accurate parsing of life (disease).
Tcm diagnosis module by acquiring the data for hoping, hearing, ask, cutting, is input to traditional Chinese medical science robot Chinese medical discrimination and calculates mould
In type, diagnosis is made to disease；And doctor trained in Western medicine analysis module can be by tcm diagnosis and doctor trained in Western medicine point by the parsing to life (disease)
The unicom of analysis is mutually melted, and realizes that the science of the traditional Chinese medical science is parsed and standardized.
I-Drug Formulation modules are used as the foundation of screening by the molecule Chinese medicine target spot of acquisition, according to D-Man models
Disease parsing as a result, comprehensive diagnos treatment accordingly find Disease-causing gene and regulate and control the gene nuclear receptor, filter out adjustable
The molecule Chinese medicine of the nuclear receptor is controlled, and generates completely new prescription.
The diseases analysis result that is obtained by the above-mentioned traditional Chinese medical science robotic diagnostic system based on D-Man and I-Drug models and it is
System targeted molecular prescriptions of traditional Chinese medicine, by traditional Chinese medical science robotic transfer to patient, the final common comprehensive diagnos for completing disease and treatment.
By taking ER positive breast cancers as an example, it is described as follows：
1. the life mechanism of patient with breast cancer and disease mechanism are parsed by D-Man life simulation model
Estrogen receptor (ER) is one of member of steroid hormone receptor superfamily, belongs to nuclear receptor, is a kind of ligand
The dependent transcription factor.ER α mRNA expressions increase in the breast cancer tissue of the ER positives, lead to sensibility of the ER to estrogen
It greatly enhances, ER with estrogen specific is combined, and passes through estrogen response element
(estrogenrespondelementEREs) transcription of gene is adjusted, so as to cause cancer cell multiplication, induces breast cancer.
Estrogen secretion mode：Hypothalamus --- pituitary gland adrenal gland --- anterior secrets corticotrophins
Plain --- adrenal cortex --- secretion estrogen and sex hormone.
In analgesics screening platform process, by antiestrogen, competitive binding ER blocks downstream signaling pathway and base
Because of transcription, inhibit the proliferation of breast cancer cell, so as to reach therapeutic effect.As representative Western medicine has tamoxifen, fulvestrant.
Therefore, the target spot for the treatment of ER positive breast cancers is ER, can regulate and control mammary gland by way of oestrogen-mimicking competitive binding ER
Cancer.
It is screened 2. combining I-Drug and carrying out drug (molecule Chinese medicine) with effective prescription model
The action target spot of ER positive breast cancers is ER, can be by finding in Chinese medicine the ingredient with estrogen-like action come competing
The proliferation that ER inhibits breast cancer cell is combined to striving property, so as to achieve the effect that treat breast cancer.Using modern science and technology such as
It the determining Chinese medicine that may act on ER such as research method, the Pharmacophore Model method of network pharmacology and is combined with ER effective
Ingredient and its pharmacophore, and then realize parsing life, screen the purpose of drug.
The part Chinese medicine that 3.I-Drug effective prescription model discriminations go out, such as the following table 1：
Table 1 acts on the Chinese medicine of ER
As shown in Table 1, there is the ingredient of estrogen-like action, so as to competitively tie in the part Chinese medicine filtered out
The proliferation that ER inhibits breast cancer cell is closed, so as to achieve the effect that treat breast cancer.
Claims (4)
1. the traditional Chinese medical science robotic diagnostic system based on D-Man and I-Drug models, it is characterised in that：The system is analyzed including doctor trained in Western medicine
Module, tcm diagnosis module and I-Drug Formulation modules, wherein：
Doctor trained in Western medicine analysis module, including analyse, gush with D-Man models, for life (disease) to be obtained in the parsing of molecular mechanism level
The data obtained are input to traditional Chinese medical science intelligent robot diagnostic model and carry out disease parsing and diagnosis；
Tcm diagnosis module for passing through the data that acquisition hopes, hears, asks, cuts, is input to traditional Chinese medical science robot Chinese medical discrimination and calculates mould
In type, diagnosis is made to disease；
I-Drug Formulation modules are used as the foundation of screening by the molecule Chinese medicine target spot of acquisition, according to D-Man model diseases
Parsing as a result, comprehensive diagnos treatment accordingly find Disease-causing gene and regulate and control the gene nuclear receptor, filter out it is controllable should
The molecule Chinese medicine of nuclear receptor, and generate completely new prescription.
2. the traditional Chinese medical science robotic diagnostic system according to claim 1 based on D-Man and I-Drug models, feature exist
In：Analysis passes through genomics, proteomics, system group, molecular biology the relevant technologies hand in the doctor trained in Western medicine analysis module
Section and analysis method parsing organization of human body, exploration biological information obtain organization of human body database, biomolecule information database, system group
Database is learned, is used to implement parsing life (disease) and by life (disease) digitized process；It gushes through various monitoring devices
Vital sign index and biochemical indicator are carried out continuously to monitor and analyze the continuous dynamic data of generation in a period of time, for reality
Now to the process continuously monitored of life (disease) body.
3. the traditional Chinese medical science robotic diagnostic system according to claim 1 based on D-Man and I-Drug models, feature exist
In：The system is used for through D-Man and I-Drug model analyzings disease and the traditional Chinese medical science robot for screening drug, the traditional Chinese medical science machine
Device people includes D-Man life simulation model and I- by D-Man and I-Drug model analyzings disease and the method for screening drug
Drug effective prescription models, by D-Man models and I-Drug model analyzing life entities " life-cell-nuclear receptor-gene-
Overall process of the life mechanism " from macroscopic view to Micro Analysis, the method for establishing disease parsing and drug screening；It is as follows：
1) life mechanism and disease mechanism are parsed by D-Man life simulation model, mainly with nuclear receptor-life mechanism-
Regulatory factor is served as theme, from the research to nuclear receptor to the parsing of life mechanism and to structured data, biological data, be
The confluence analysis of system group data, the various data of life big data, for disclosing the substance of life entity internal operation, energy, letter
Relationship between breath；
2) life mechanism and the pathogenetic molecular mechanism of disease are parsed using D-Man models by I-Drug effective prescription models
As a result, mainly served as theme with life-life mechanism-regulatory factor, the target spot and screening that find regulation and control life are determined to specific
The effective effective component of chinese medicine of target spot and function factor；
3) structured data obtained by D-Man and I-Drug models, biological information, system group and life big data are stored
In traditional Chinese medical science intelligent robot diagnostic system, realize that be resolved to medical diagnosis on disease from disease selects medicine and the full mistake treated to targeting again
Journey completes the accurate diagnosis of traditional Chinese medical science robot and accurate medication.
4. a kind of traditional Chinese medical science robot equipped with the traditional Chinese medical science robotic diagnostic system based on D-Man and I-Drug models, described to be based on
The traditional Chinese medical science robotic diagnostic system of D-Man and I-Drug models performs step as claimed in claim 3.
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| CN108109695A (en) * | 2018-01-12 | 2018-06-01 | 华子昂 | The method for establishing traditional Chinese medical science robot life large database concept |
| CN109637594A (en) * | 2018-10-25 | 2019-04-16 | 华中科技大学鄂州工业技术研究院 | Chinese materia medica preparation over the counter species chemical component pathogenic analysis method and equipment |
| CN111681717A (en) * | 2020-05-28 | 2020-09-18 | 北京银谷芳香科技有限公司 | Artificial intelligence-based traditional Chinese medicine quality control and natural substance efficacy prediction model and construction and use methods thereof |
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