CN108073780A - A kind of method of the relatively clinical efficacy of Chinese medicine compound prescription - Google Patents
A kind of method of the relatively clinical efficacy of Chinese medicine compound prescription Download PDFInfo
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Abstract
The present invention provides a kind of Chinese medicine compound prescription clinical efficacies based on drug target similarity measurement and the comparative analysis method of indication.Chemical composition of Chinese materia medica and its corresponding target spot (gene or albumen) of the method based on Chinese medicine compound prescription, incorporating bio-networks structure and module division, the weighting of prescription compatibility, gene set comparative analysis and the methods of similarity measurement carrys out the clinical benefit that the different Chinese medicine compound prescriptions of comparison are directed to same disease or phenotype (symptom).Specific steps include：Obtain the chemical composition set of Chinese medicine compound prescription；Obtain the corresponding action target spot set of chemical composition set；Build target spot network and division network module；Corresponding target spot weighting is carried out according to the compatibility relationship of Chinese medicine compound prescription；Obtain the related gene set of disease or phenotype (symptom)；Chinese medicine compound prescription target spot, network and module target spot, weighting target spot carry out gene set comparative analysis with disease or phenotype genes respectively, using the more different Chinese medicine compound prescriptions of likeness coefficient to the correlation of same disease or phenotype.Present invention can apply to the fields such as Chinese medicine compound prescription clinical orientation, the selection of Chinese medicine compound prescription indication, the analysis of Chinese medicine compound prescription comparative effectiveness.
Description
Technical field
The invention belongs to technical field of biological information, more particularly it relates in being carried out using biological big data
The method that medicine compound clinical benefit compares.
Background technology
Chinese patent drug have the advantages that compared with traditional Chinese medicine decoction it is convenient to take, easy to carry, can standing long term usage, in Chinese and Western
Great function is played in doctor's clinical treatment, therefore Chinese patent drug industry is also quickly grown.But due to policy, economic cause and
The influence of traditional Chinese medicine own characteristic, there is also problems in Chinese patent drug industry development and clinical practice, for example, with kind weight
The problems such as multiple rate is high, clinical orientation obscures, resource distribution is unreasonable, innovation deficiency.Therefore, these to be solved the problems, such as, it is necessary to
The clinical value of Chinese patent drug is assessed, benefit comparison, analysis are carried out to similar Chinese patent drug, thus the positioning of clear and definite product,
Promote Chinese patent drug clinical rational drug use and indication selection.
Traditional clinical drug Comparison of Value is usually by the method for " head to head " clinical test, and this method usually needs
Substantial amounts of human and material resources and financial resources are put into, this has very big choose for the Chinese patent drug that mechanism is complicated, kind is numerous
War.
High throughput sequencing technologies, multigroup development for learning research have expedited the emergence of biological big data, are opened using these biology big datas
The research opened up between drug, disease and target spot becomes new developing direction, also utilizes biological big data, bio-networks for researcher
The methods of carry out Chinese medicine compound prescription clinical benefit comparative analysis bring opportunity.
The content of the invention
High throughput sequencing technologies, multigroup development for learning research have expedited the emergence of biological big data, are opened using these biology big datas
The research opened up between drug, disease and target spot becomes new developing direction, also utilizes biological big data, bio-networks for researcher
The methods of carry out Chinese medicine compound prescription clinical benefit comparative analysis bring opportunity.
Therefore, the present invention proposes a kind of target spot acted on using different Chinese medicine compound prescriptions (Chinese patent drug) and disease or phenotype
The docking of (symptom) related target carries out the analysis comparative approach of clinical drug benefit.
Technical scheme is as follows.
The present invention provides a kind of methods of the relatively clinical efficacy of Chinese medicine compound prescription, the described method comprises the following steps：
(1) chemical composition included in the first Chinese medicine compound prescription and the second Chinese medicine compound prescription per herbal medicine is obtained respectively, is obtained pair
The the first chemical composition set and the second chemical composition set answered；
(2) for whole chemical compositions in the first chemical composition set and the second chemical composition set in step (1), divide
Corresponding action target spot set is not obtained, obtains the first action target spot set and the second action target spot set；
(3) obtain and one or more diseases or the relevant target spot set of disease symptoms；
(4) target spot of the first action target spot set of difference calculation procedure (2) and the second action target spot set and step (3)
The likeness coefficient of set, obtains first similarity coefficient and second similarity coefficient, the first similarity coefficient and
Second similarity coefficient, in the two higher likeness coefficient represent corresponding Chinese medicine compound prescription to one or more diseases or
It is that corresponding Chinese medicine is answered that disease symptoms, which have better clinical efficacy or represent one or more diseases or disease symptoms,
The better indication of side.
In the step (1), it is preferable that the first Chinese medicine compound prescription and the second Chinese medicine compound prescription are by more than two tastes or two tastes respectively
The prescription of Chinese medicine composition, the Chinese patent drug including traditional Chinese herbal decoction and various preparation types；
Preferably, the first Chinese medicine compound prescription and the second Chinese medicine compound prescription are the Chinese patent drug compounds listed；It is highly preferred that in first
Medicine compound and the second Chinese medicine compound prescription are with the similar Chinese patent drug compound of one or more identical indications or major function；
First chemical composition set and the second chemical composition set are retrieved as approach well known, such as can pass through
Database obtains.
In the step (2), the acquisition side of being known in the art of the first action target spot set and the second action target spot set
Method, such as can be obtained by database.
Preferably, the target spot in the first action target spot set and the second action target spot set is gene or albumen.
In the step (3), this field is retrieved as with one or more diseases or the relevant target spot set of disease symptoms
Known method, such as can be obtained by database；
Preferably, it is gene or albumen with the target spot in one or more diseases or the relevant target spot set of disease symptoms.
In the step (4), it is preferable that calculate first similarity coefficient and second respectively by the control methods of target spot set
Likeness coefficient.It is highly preferred that first similarity coefficient and second similarity coefficient are Jie Kade likeness coefficients (Jaccard
Similarity coefficient) or Dice similarity factors (Dice ' coefficient).
Optionally, for the first action target spot set and the second action target spot set that are obtained in step (2), carry out respectively
Target spot network struction and module division.Therefore optionally, step (2) includes：
(2-1A) in the first chemical composition set and the second chemical composition set in step (1) all chemistry into
Point, corresponding action target spot set is obtained respectively, obtains the first action target spot set and the second action target spot set；
(2-2A) based on the known target spot interaction relationship in the first action target spot set and the second action target spot set,
Target spot network is built respectively, obtains the first action target spot network and the second action target spot network；
(2-3A) carries out mould with number of nodes >=3, respectively the first target spot network to step (2-2A) and the second target spot network
Block divides, and obtains the first module collection and the second module collection, then using the target spot being divided into the first module collection as sieve
The first action target spot set after choosing, using the target spot being divided into the second module collection as the second action target spot collection after screening
It closes, for carrying out the target spot set comparative analysis in step (4) with step (3).
In the step (2-1A), the acquisition of the first action target spot set and the second action target spot set is known in the art
Method, such as can be obtained by database.
Preferably, the target spot in the first action target spot set and the second action target spot set is gene or albumen.
In the step (2-2A), it is preferable that structure target spot network is by the way that the first action target spot set and second are acted on
Whole target spots in target spot set are mapped in known target spot relation and carry out；
In the step (2-3A), it is preferable that module division passes through selected from cluster, heuristic search, seed extension, matrix
The method of decomposition, topological network etc. carries out；It is highly preferred that using selected from hierarchical clustering algorithm, MCODE, MCL, CFinder,
CPM, the method for SPC, G-N algorithm, ModuLand, DME, MINE, SVD carry out.
Optionally, for the first action target spot set and the second action target spot set that are obtained in step (2), according to Chinese medicine
The prescription compatible experiments of compound are weighted target spot.Therefore optionally, step (2) includes：
(2-1B) in the first chemical composition set and the second chemical composition set in step (1) all chemistry into
Point, corresponding action target spot set is obtained respectively, obtains the first action target spot set and the second action target spot set；
(2-2B) for whole target spots in the first action target spot set and the second action target spot set, according to Chinese medicine compound prescription
Monarch, minister in compatibility help, medicine classification are made to correspond to the weighting that the mode that target spot weight is successively decreased carries out target spot set, after being weighted
The second action target spot set after first action target spot set and weighting, for carrying out the target spot collection in step (4) with step (3)
Close comparative analysis.
In the step (2-1B), the acquisition of the first action target spot set and the second action target spot set is known in the art
Method, such as can be obtained by database.Preferably, the target spot in the first action target spot set and the second action target spot set
It is gene or albumen.
In the step (2-2B), it is preferable that according to monarch, minister, the actual prescription usage ratio for helping, making medicine classification in compound
Its corresponding chemical composition action target spot is weighted；It is highly preferred that monarch, minister, the chemical composition helping, make medicine classification are corresponded to
Target spot according to 8:4:2:1、4:2:1:1 or 2:1:1:1 ratio is weighted.Wherein when chemical composition or its corresponding effect
When target spot belongs to multiple classifications simultaneously, according to monarch, minister, the priority helped, medicine classification is made to successively decrease, by the chemical composition or its
Corresponding action target spot is determined as the higher classification of priority.
The present invention provides measure more two or more Chinese medicines using gene set comparative analysis method and likeness coefficient
The clinical effect of compound, Technology Roadmap are shown in Fig. 1.If two Chinese patent drugs are compared, target spot and disease or the symptom of some Chinese patent drug
The likeness coefficient of target spot is higher, this illustrates that it has this disease or symptom better clinical treatment to act on.Also, except straight
Outside the analysis of the Chinese medicine compound prescription target spot and disease or symptom target spot that connect, the present invention also provides by Chinese patent drug compound target spot according to group
The mode that square combination principle is weighted that is, according to the monarch of compound, minister, helps, medicine is made to assign its target spot corresponding weight respectively, so
Compare the likeness coefficient after weighting again afterwards.In addition, body physiological function and pathologic process are usually all molecule, gene, albumen
Mutual adjustment effect as a result, and Chinese patent drug also has the characteristics that multicomponent, Mutiple Targets interact, therefore by Chinese patent drug target spot
Interaction take into account, be compared analysis from the angle of Chinese medicine target spot network and module.
The method of the present invention covers following technical essential：
1. it is matched with the ingredient target spot of Chinese medicine compound prescription with the related gene of disease or symptom, so as to comparative analysis two
Or more compound clinical benefit；
2. pair compound target spot and disease or symptom gene carry out gene set comparative analysis, (blocked using likeness coefficient as outstanding
Moral similarity factor) carry out the effects of the different compounds of comparison；
3. the ingredient target spot of pair compound carries out network struction and module division, network or the target spot by cut-in module will be formed
Gene set comparative analysis is carried out with disease or symptom gene, the comparison of different compound effects is carried out from network, module level；
4. being weighted according to the compatible experiments of compound to target spot, monarch drug in a prescription weight is higher, and ministerial drug takes second place.To the target after weighting
Point compares and analyzes.
Description of the drawings
Hereinafter, the embodiment that the present invention will be described in detail is carried out with reference to attached drawing, wherein：
Fig. 1 shows the Technology Roadmap of the method for the invention.
Fig. 2 shows composition drug, ingredient, the gene target of astragalus leech network ressel freeing capsule and BUCHANG NAOXINTONG JIAONANG in embodiment 1
And module number.
Fig. 3 shows that astragalus leech network ressel freeing capsule and BUCHANG NAOXINTONG JIAONANG target gene set are respectively at apoplexy table in embodiment 1
The similitude of type gene sets.
Fig. 4 shows that astragalus leech network ressel freeing capsule and BUCHANG NAOXINTONG JIAONANG are total in upper extremity exercise function score, aphasia in embodiment 2
Divide, the clinical test results on aphasia quocient.
Fig. 5 shows that astragalus leech network ressel freeing capsule and huatuo zaizao pill target gene set are respectively at apoplexy phenotype base in embodiment 3
Because of the similitude of set.
Fig. 6 shows that BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill target gene set are respectively at apoplexy phenotype in embodiment 4
The similitude of gene sets.
Fig. 7 shows that FUFANG XUESHUANTONG JIAONANG and thrombolysis Naotong Capsule target point protein set are respectively at apoplexy table in embodiment 5
The similitude of type GAP-associated protein GAP set.
Specific embodiment
Illustrate the present invention referring to specific embodiment.It will be appreciated by those skilled in the art that these embodiments are only
For illustrating the present invention, do not limit the scope of the invention in any way.
Experimental method in following embodiments is conventional method unless otherwise specified.Medicine used in following embodiments
Material raw material, reagent material etc. unless otherwise specified, are commercially available products.
Embodiment 1Astragalus leech network ressel freeing capsule and the clinical efficacy of BUCHANG NAOXINTONG JIAONANG treatment apoplexy and indication comparative analysis
The present embodiment is based on the method for the present invention to astragalus leech network ressel freeing capsule and BUCHANG NAOXINTONG JIAONANG in treatment cerebral ischemia apoplexy
And its cardinal symptom (hemiplegia, numbness, facial paralysis, glossolalia, cognitive disorder, incoordination, dizziness, tendon hyperreflexia and
Motion function change) on clinical benefit be compared analysis.Specific implementation step is as follows：
Step 1：Obtain the chemical composition of two Chinese patent drug compounds
Astragalus leech network ressel freeing capsule prescription includes 26 taste Chinese medicines, including leech, earthworm, scorpio, ground bettle, the larva of a silkworm with batrytis, ginseng, Huang
Stilbene, the tuber of dwarf lilyturf, Radix Angelicae Sinensis, Rhizoma Chuanxiong, the fleece-flower root, Schisandra chinensis, safflower, ilex pubescens, the radix paeoniae rubrathe, Caulis Spatholobi, Radix Salviae Miltiorrhizae, Herba Lycopi, Radix Curcumae, ginger
Huang, Rhizoma Gastrodiae, Chinese cassia tree, Rhizoma Et Radix Notopterygii, fructus gleditsiae, arisaema cum bile, borneol.Comprising 16 taste Chinese medicines in BUCHANG NAOXINTONG JIAONANG prescription, including Huang
Stilbene, the radix paeoniae rubrathe, Radix Salviae Miltiorrhizae, Radix Angelicae Sinensis, Rhizoma Chuanxiong, peach kernel, safflower, frankincense, myrrh, Caulis Spatholobi, the root of bidentate achyranthes, cassia twig, ramulus mori, earthworm, scorpio, water
Leech.The chemical composition included in two compounds per herbal medicine is obtained by database retrieval.Through retrieving, merging and duplicate checking, there are
981 chemical compositions of astragalus leech network ressel freeing capsule, 523 chemical compositions of BUCHANG NAOXINTONG JIAONANG are arrived.
The chemical composition partial data that astragalus leech network ressel freeing capsule is included is as shown in table 1 below.
Table 1
The chemical composition partial data that BUCHANG NAOXINTONG JIAONANG is included is as shown in table 2 below.
Table 2
Step 2：Obtain the gene target of two compound chemical compositions
To each chemical composition that two compounds include more, by database retrieval, its effect gene target spot is obtained.Together
By retrieving, merging and duplicate checking, the gene target 11774 of astragalus leech network ressel freeing capsule, the base of the pained capsule of step-length brain is obtained in sample
Because of target spot 10317.
Target spot partial results corresponding to astragalus leech network ressel freeing capsule chemical composition are as shown in table 3 below.
Table 3
Target spot partial results corresponding to BUCHANG NAOXINTONG JIAONANG chemical composition are as shown in table 4 below.
Table 4
| Ingredient | Gene target |
| 13- hydroxyl -9,11- octadecadienoic acids | ALOX15 |
| 13- hydroxyl -9,11- octadecadienoic acids | CAT |
| 2- hexanols | KCNB1 |
| Corosolic acid | CTNNB1 |
| 3,4- resacetophenones | COMT |
| Former catechu ketone | TGFB1 |
| Former catechu ketone | S100B |
| Former catechu ketone | AGER |
| Former catechu ketone | FGF2 |
| Former catechu ketone | HMGB1 |
| Former catechu ketone | SMAD2 |
| Oleanolic acid 3 | IL22 |
| Oleanolic acid 3 | IL31 |
| Oleanolic acid 3 | IL4 |
| Oleanolic acid 3 | IL5 |
| Oleanolic acid 3 | IL6 |
| Oleanolic acid 3 | TSLP |
| Acetophenone | OLFR151 |
| Acetophenone | GNAO1 |
Step 3：Obtain the related gene data of ishemic stroke disease and its cardinal symptom
It is retrieved by database and is lost with apoplexy, hemiplegia, numbness, facial paralysis, glossolalia, cognitive disorder, mutual aid respectively
Tune, dizziness, tendon hyperreflexia and the relevant gene of motion function form disease and symptom gene sets, to each disease and disease
Shape related gene carries out specification and duplicate removal.Through OMIN, HPO (human phenotype ontology) database retrieval, obtain
Related gene quantity be：
Apoplexy 1356, hemiplegia 157,118 numb, facial paralysis 100, glossolalia 237, cognitive disorder
826, incoordination 462, dizziness 29, tendon hyperreflexia 354 and motion function 902.
Partial results are as shown in table 5 below.
Table 5
Step 4：Target spot network struction and module division
According to relationship between gene, to the gene target set progress target spot network for two Chinese patent drug compounds that step 2 obtains
Structure and module division.
HPRD databases are loaded under relationship between gene, by whole target spots in the gene target set of two Chinese patent drug compounds
It is mapped in known gene relationship, forms target spot network.With number of nodes=3, using MCODE methods (Cutoff=0.2；K-
Core=2；Seed depth=100) module division is carried out to the target spot network of two Chinese patent drug compounds.Obtain astragalus leech network ressel freeing capsule
Target spot network, number of nodes 5674, while being 19227；BUCHANG NAOXINTONG JIAONANG target spot network is obtained, number of nodes is
5407, while being 19362.It is divided through module, the target spot network of two compounds is obtained for 53 modules, by the gene of cut-in module
Target spot number is respectively 645 and 657.
Therefore the first action target spot set after the screening of astragalus leech network ressel freeing capsule has been obtained, including 645 gene targets；
The second action target spot set after the screening of BUCHANG NAOXINTONG JIAONANG is arrived, including 657 gene targets.Astragalus leech network ressel freeing capsule and
Composition drug, ingredient, gene target and the module number of BUCHANG NAOXINTONG JIAONANG are shown in Fig. 2.
Step 5：The compatibility weighting of target spot
According to the prescription compatible experiments of two Chinese patent drug compounds, the first action target spot collection after the screening obtained to step 4
The second action target spot set point of impact on target after closing and screening is weighted.
By monarch, minister in Chinese medicine compound prescription compatibility, help, medicine classification made to correspond in the way of target spot weight is successively decreased carry out target spot set
Weighting, according to 2 in the present embodiment:1:1:1 ratio carries out 2 times to the corresponding target spot of the monarch drug in a prescription of two Chinese patent drug compounds
Weighting, i.e., function as other compositions target spot according to the target spot of monarch drug in a prescription ingredient 2 times are subsequently calculated.When chemical composition or
When its corresponding action target spot belongs to multiple classifications simultaneously, according to monarch, minister, the priority helped, medicine classification is made to successively decrease, by described in
Chemical composition or its corresponding action target spot are determined as the higher classification of priority.
Obtain the target spot set after two compound monarch drug in a prescription weightings, i.e. the first action target spot after the weighting of astragalus leech network ressel freeing capsule
The second action target spot set after the weighting of set and BUCHANG NAOXINTONG JIAONANG.
Step 6：Gene sets comparative analysis and likeness coefficient calculate
Gene action target spot set after the weighting for two Chinese patent drug compounds that step 5 is obtained obtains respectively with step 3
Apoplexy and its cardinal symptom related gene set carry out gene sets comparative analysis, calculate two Chinese patent drug compounds effect
(the present embodiment is using the similar systems of Jie Kade to the likeness coefficient of apoplexy and its target spot set of cardinal symptom respectively for target spot set
Number), the result is shown in the following table 6 and Fig. 3.
Table 6
As can be seen from the results, the target gene of astragalus leech network ressel freeing capsule and numbness, glossolalia, incoordination, movement
The phenotype genes likeness coefficient highest of function, and the phenotype base of whole target genes of BUCHANG NAOXINTONG JIAONANG and cognitive disorder
Because of likeness coefficient highest.
Embodiment 2The clinical test of astragalus leech network ressel freeing capsule and BUCHANG NAOXINTONG JIAONANG treatment apoplexy sequelae is verified
The effect of observing astragalus leech network ressel freeing capsule and BUCHANG NAOXINTONG JIAONANG treatment apoplexy sequelae related symptoms.Pay close attention to drug
Therapeutic effect in the case of clinical practice.
Control group：BUCHANG NAOXINTONG JIAONANG takes orally.One time 4,3 times a day；
Test group：Astragalus leech network ressel freeing capsule takes orally.One time 4,2 times a day, respectively taken after breakfast, supper 1 time.
Sample size：68, two groups each 34.
Health giving quality observation index：
Limbs disturbance improves the evaluation of situation using simplified Fugl-Meyer motor function scores methods；Linguistic function
Evaluation is evaluated using aphasia quocient (aphasia quotient, AQ).
The improvement of motor function after two groups of treatments：In terms of upper extremity exercise function score, two comparison among groupss have statistics
Difference (P<0.05), astragalus leech network ressel freeing capsule is better than step-length cerebral ischemic.
The improvement of two groups of pretherapy and post-treatment aphasia symptoms：In terms of aphasia total score, aphasia quocient, two comparison among groups differences have system
Meter learns meaning, and astragalus leech network ressel freeing is better than step-length cerebral ischemic (P=0.05) in terms of aphasia total score, aphasia quocient is improved.
The result is shown in Fig. 4.It is confirmed by clinical test results：Astragalus leech network ressel freeing capsule is improving upper extremity exercise function score
, knot that this result with using the present invention method obtain pained better than step-length brain in terms of (4A), aphasia total score, aphasia quocient (4B)
Fruit is consistent.
Embodiment 3：The clinical indication comparative analysis of astragalus leech network ressel freeing capsule and huatuo zaizao pill treatment apoplexy
The present embodiment is based on the method for the invention comparison astragalus leech network ressel freeing capsule and huatuo zaizao pill in cerebral ischemia is treated
Wind and its cardinal symptom (hemiplegia, numbness, facial paralysis, glossolalia, cognitive disorder, incoordination, dizziness, tendon hyperreflexia
With motion function change) on clinical benefit be compared analysis.
The present embodiment utilizes astragalus leech network ressel freeing capsule and whole target genes of huatuo zaizao pill and apoplexy and its phase of symptom
Correlation gene carries out gene sets comparative analysis, weights, utilizes without the module division of drug target gene and the compatibility of target spot
Jie Kade likeness coefficients are compared it.Specific implementation step is as follows：
Step 1：Obtain the chemical composition of two Chinese patent drug compounds
Astragalus leech network ressel freeing capsule prescription includes 26 taste Chinese medicines, including leech, earthworm, scorpio, ground bettle, the larva of a silkworm with batrytis, ginseng, Huang
Stilbene, the tuber of dwarf lilyturf, Radix Angelicae Sinensis, Rhizoma Chuanxiong, the fleece-flower root, Schisandra chinensis, safflower, ilex pubescens, the radix paeoniae rubrathe, Caulis Spatholobi, Radix Salviae Miltiorrhizae, Herba Lycopi, Radix Curcumae, ginger
Huang, Rhizoma Gastrodiae, Chinese cassia tree, Rhizoma Et Radix Notopterygii, fructus gleditsiae, arisaema cum bile, borneol.Comprising 7 taste Chinese medicines in huatuo zaizao pill prescription, including Rhizoma Chuanxiong, Wu
The fruit of medicinal cornel, borneol, Radix Angelicae Sinensis, safflower, rhizoma arisaematis, vomiting nut.Obtain what is included in two compounds per herbal medicine by database retrieval
Chemical composition.Through retrieving, merge and duplicate checking, 981 chemical compositions of astragalus leech network ressel freeing capsule have been obtained, huatuo zaizao pill
317 chemical compositions.
The chemical composition partial data that huatuo zaizao pill is included is as shown in table 7 below.
Table 7
Step 2：Obtain the gene target of two compound chemical compositions
To each chemical composition that two compounds are included, by database retrieval, its effect gene target spot is obtained.Together
By retrieving, merging and duplicate checking, the gene target 11774 of astragalus leech network ressel freeing capsule, the gene target of huatuo zaizao pill is obtained in sample
Point 9311.
Target spot partial results corresponding to huatuo zaizao pill chemical composition are as shown in table 8 below.
Table 8
Step 3：Obtain the related gene data of ishemic stroke disease and its cardinal symptom
It is retrieved by database and is lost with apoplexy, hemiplegia, numbness, facial paralysis, glossolalia, cognitive disorder, mutual aid respectively
Tune, dizziness, tendon hyperreflexia and the relevant gene of motion function.Data used are in the same manner as in Example 1.
Step 4：Gene sets comparative analysis and likeness coefficient calculate
The astragalus leech network ressel freeing capsule and the gene action target spot set of huatuo zaizao pill that step 2 is obtained obtain respectively with step 3
The apoplexy and its related gene set of cardinal symptom arrived carries out gene sets comparative analysis, calculates astragalus leech network ressel freeing capsule and Huatuo
(the present embodiment is using outstanding with the likeness coefficient of apoplexy and its target spot set of cardinal symptom respectively for Re-creating Bolus gene target set
Card moral similarity factor), the result is shown in the following table 9 and Fig. 5.
Table 9
As can be seen from the results, the gene target of huatuo zaizao pill and hemiplegia, facial paralysis, the phenotype genes phase of dizziness
It is higher like property coefficient, target gene and incoordination, tendon hyperreflexia, the phenotype genes phase of motion function of astragalus leech network ressel freeing capsule
It is higher like property coefficient.
Embodiment 4：The clinical indication comparative analysis of BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill treatment apoplexy
The present embodiment is based on the method for the invention comparison BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill in treatment cerebral ischemia
(hemiplegia, numbness, facial paralysis, glossolalia, cognitive disorder, incoordination, dizziness, tendon reflex are high for apoplexy and its cardinal symptom
Change into motion function) on clinical benefit be compared analysis.
The present embodiment carries out network struction to the target gene of BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill and module divides,
Gene sets comparative analysis is carried out using by the gene in cut-in module and the related gene of apoplexy and its symptom, utilizes Jie Kade
Likeness coefficient is compared it.Specific implementation step is as follows：
Step 1：Obtain the chemical composition of two Chinese patent drug compounds
The prescription of BUCHANG NAOXINTONG JIAONANG includes 16 taste Chinese medicines, including the Radix Astragali, radix paeoniae rubrathe, Radix Salviae Miltiorrhizae, Radix Angelicae Sinensis, Rhizoma Chuanxiong, peach kernel, red
Flower, frankincense, myrrh, Caulis Spatholobi, the root of bidentate achyranthes, cassia twig, ramulus mori, earthworm, scorpio, leech.Comprising in 7 tastes in huatuo zaizao pill prescription
Medicine, including Rhizoma Chuanxiong, evodia rutaecarpa, borneol, Radix Angelicae Sinensis, safflower, rhizoma arisaematis, vomiting nut.Step-length cerebral ischemic glue used in the present embodiment
The change of the constitutional chemistry ingredient of capsule and huatuo zaizao pill and BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill in embodiment 1, embodiment 3
It is same to study split-phase.
Step 2：Obtain the gene target of two compound chemical compositions
Equally, each chemical composition included to BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill, by database retrieval,
Obtain the gene target set of its effect.BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill constitutional chemistry obtained in the present embodiment
Gene target set corresponding to ingredient and the gene target of BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill in embodiment 1, embodiment 3
Point set is identical.
Step 3：Obtain the related gene data of ishemic stroke disease and its cardinal symptom
It is retrieved by database and is lost with apoplexy, hemiplegia, numbness, facial paralysis, glossolalia, cognitive disorder, mutual aid respectively
Tune, dizziness, tendon hyperreflexia and the relevant gene of motion function.Data used are in the same manner as in Example 1.
Step 4：Target spot network struction and module division
According to relationship between gene, network struction is carried out to the gene target set of BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill
It is divided with module.
HPRD databases are loaded under relationship between gene, by whole target spots in the gene target set of two Chinese patent drug compounds
It is mapped in known gene relationship, forms target spot network.With number of nodes=3, using MCODE methods (Cutoff=0.2；K-
Core=2；Seed depth=100) module division is carried out to the target spot network of two Chinese patent drug compounds.Obtain step-length cerebral ischemic glue
The target spot network of capsule, number of nodes 5407, while being 19362；The target spot network of huatuo zaizao pill is obtained, number of nodes is
4910, while being 15162.It is divided through module, the target spot network of BUCHANG NAOXINTONG JIAONANG has obtained 53 modules, by cut-in module
Gene number is 657；The target spot network of huatuo zaizao pill has obtained 52 modules, is 484 by the gene number of cut-in module.
Therefore the first action target spot set after the screening of BUCHANG NAOXINTONG JIAONANG has been obtained, including 657 gene targets；
The second action target spot set after the screening of huatuo zaizao pill is obtained, including 484 gene targets.
Step 5：Gene sets comparative analysis and likeness coefficient calculate
Gene target set after the screening of BUCHANG NAOXINTONG JIAONANG and huatuo zaizao pill that step 4 is obtained is respectively in
The related gene set of wind and its cardinal symptom carries out gene sets comparative analysis, material calculation cerebral ischemic capsule and Huatuo's reconstruction
(the present embodiment is using outstanding with the likeness coefficient of apoplexy and its cardinal symptom related gene set respectively for the gene target set of ball
Card moral similarity factor), the result is shown in the following table 10 and Fig. 6.
Table 10
As can be seen from the results, the target gene of BUCHANG NAOXINTONG JIAONANG and numbness, glossolalia, cognitive disorder, be total to
Help imbalance, tendon hyperreflexia, the phenotype genes likeness coefficient of motion function is higher, the target gene of huatuo zaizao pill with it is inclined
Paralysis, facial paralysis, the phenotype genes likeness coefficient of dizziness are higher.
Embodiment 5：The clinical indication of FUFANG XUESHUANTONG JIAONANG and thrombolysis Naotong Capsule treatment apoplexy sequelae compares point
Analysis
The present embodiment is based on the method for the invention comparison FUFANG XUESHUANTONG JIAONANG and thrombolysis Naotong Capsule wind in the treatment
Sequelae and its cardinal symptom (hemiplegia, numbness, facial paralysis, glossolalia, cognitive disorder, incoordination, dizziness, tendon reflex
The variation of hyperfunction and motion function) on clinical benefit be compared analysis.
The present embodiment utilizes whole target point proteins of FUFANG XUESHUANTONG JIAONANG and thrombolysis Naotong Capsule and apoplexy and its symptom
Related gene coded protein carry out gene sets comparative analysis, match somebody with somebody without the module division of drug target albumen and target spot
5 weightings, are compared it using Dice likeness coefficients.Specific implementation step is as follows：
Step 1：Obtain the chemical composition of two Chinese patent drug compounds
FUFANG XUESHUANTONG JIAONANG prescription includes 4 taste Chinese medicines, including Radix Notoginseng, Radix Astragali, Radix Salviae Miltiorrhizae, radix scrophulariae.Thrombolysis Naotong Capsule group
Comprising 6 taste Chinese medicines in side, including Radix Notoginseng, earthworm, lovely hemsleya extract, cordyceps sinensis, Chinese yam, Radix Glycyrrhizae.It is obtained by database retrieval
Take the chemical composition included in two compounds per herbal medicine.Through retrieving, merging and duplicate checking, FUFANG XUESHUANTONG JIAONANG has been obtained
345 chemical compositions, 408 chemical compositions of thrombolysis Naotong Capsule.
Step 2：Obtain the albumen target spot of two compound chemical compositions
To each chemical composition that two compounds are included, by database retrieval, its action protein target spot is obtained.Together
By retrieving, merging and duplicate checking, the albumen target spot 1418 of FUFANG XUESHUANTONG JIAONANG, the base of thrombolysis Naotong Capsule is obtained in sample
Because of target spot 905.
FUFANG XUESHUANTONG JIAONANG some chemical properties and its corresponding albumen are as shown in table 11 below.
Table 11
Thrombolysis Naotong Capsule some chemical properties and its corresponding albumen are as shown in table 12 below.
Table 12
Step 3：Obtain the GAP-associated protein GAP data of ishemic stroke disease and its cardinal symptom
It is retrieved by database and is lost with apoplexy, hemiplegia, numbness, facial paralysis, glossolalia, cognitive disorder, mutual aid respectively
Tune, dizziness, tendon hyperreflexia and the relevant albumen of motion function.Data used are gene coded protein in embodiment 1.
Step 4：Gather comparative analysis and likeness coefficient calculates
The FUFANG XUESHUANTONG JIAONANG and the albumen action target spot set of thrombolysis Naotong Capsule that step 2 is obtained respectively with step
The GAP-associated protein GAP set of 3 obtained apoplexy and its cardinal symptom is into row set comparative analysis, calculating side's XUESHUANTONG JIAONANG and thrombolysis
(the present embodiment uses Naotong Capsule protein targets point set with the likeness coefficient of apoplexy and its target spot set of cardinal symptom respectively
Dice coefficients), the result is shown in the following table 13 and Fig. 7.
Table 13
As can be seen from the results, the albumen target spot of FUFANG XUESHUANTONG JIAONANG and hemiplegia, facial paralysis, tendon hyperreflexia
Phenotypic proteins likeness coefficient is higher, and target point protein and numbness, glossolalia, cognitive disorder, the mutual aid of thrombolysis Naotong Capsule are lost
Tune, the phenotypic proteins likeness coefficient of motion function are higher.
Claims (9)
1. a kind of method of the relatively clinical efficacy of Chinese medicine compound prescription, the described method comprises the following steps：
(1) chemical composition included in the first Chinese medicine compound prescription and the second Chinese medicine compound prescription per herbal medicine is obtained respectively, is obtained corresponding
First chemical composition set and the second chemical composition set；
(2) for whole chemical compositions in the first chemical composition set and the second chemical composition set in step (1), obtain respectively
Corresponding action target spot set is taken, obtains the first action target spot set and the second action target spot set；
(3) obtain and one or more diseases or the relevant target spot set of disease symptoms；
(4) the target spot set of the first action target spot set of difference calculation procedure (2) and the second action target spot set and step (3)
Likeness coefficient, obtain first similarity coefficient and second similarity coefficient, the first similarity coefficient and second
Likeness coefficient, higher likeness coefficient represents corresponding Chinese medicine compound prescription to one or more diseases or disease in the two
It is corresponding Chinese medicine compound prescription that symptom, which has better clinical efficacy or represents one or more diseases or disease symptoms,
Better indication.
2. according to the method described in claim 1, it is characterized in that, in the step (1), the first Chinese medicine compound prescription and the second Chinese medicine
The prescription that compound is made of respectively two tastes or two taste more than Chinese medicines, the Chinese patent drug including traditional Chinese herbal decoction and various preparation types；
Preferably, the first Chinese medicine compound prescription and the second Chinese medicine compound prescription are the Chinese patent drug compounds listed；It is highly preferred that the first Chinese medicine is answered
Side is with the similar Chinese patent drug compound of one or more identical indications or major function with the second Chinese medicine compound prescription.
3. method according to claim 1 or 2, which is characterized in that in the step (2), the first action target spot set and
Target spot in second action target spot set is gene or albumen.
4. according to the method in any one of claims 1 to 3, which is characterized in that in the step (3), with one kind or more
Target spot in kind disease or the relevant target spot set of disease symptoms is gene or albumen.
5. method according to any one of claim 1 to 4, which is characterized in that in the step (4), pass through target spot collection
It closes control methods and calculates first similarity coefficient and second similarity coefficient respectively；
Preferably, first similarity coefficient and second similarity coefficient are Jie Kade likeness coefficients (Jaccard
Similarity coefficient) or Dice similarity factors (Dice ' coefficient).
6. the method according to any one of claims 1 to 5, it is characterized in that, optionally, being obtained for step (2) is middle
The first action target spot set and the second action target spot set, respectively carry out target spot network struction and module division；
Preferably, the step (2) includes：
(2-1A) divides for whole chemical compositions in the first chemical composition set and the second chemical composition set in step (1)
Corresponding action target spot set is not obtained, obtains the first action target spot set and the second action target spot set；
(2-2A) is based on the known target spot interaction relationship in the first action target spot set and the second action target spot set, difference
Target spot network is built, obtains the first action target spot network and the second action target spot network；
(2-3A) carries out module stroke with number of nodes >=3, respectively the first target spot network to step (2-2A) and the second target spot network
Point, obtain the first module collection and the second module collection, then using the target spot being divided into the first module collection as screen after
The first action target spot set, using the target spot being divided into the second module collection as screening after the second action target spot set,
For carrying out the target spot set comparative analysis in step (4) with step (3).
7. according to the method described in claim 6, it is characterized in that, in the step (2-1A), the first action target spot set and
Target spot in second action target spot set is gene or albumen；
Preferably, in the step (2-2A), structure target spot network is by by the first action target spot set and the second action target spot
Whole target spots in set are mapped in known target spot relation and carry out；
Preferably, in the step (2-3A), module division passes through selected from cluster, heuristic search, seed extends, matrix divides
The method of solution, topological network etc. carries out；It is highly preferred that using selected from hierarchical clustering algorithm, MCODE, MCL, CFinder, CPM,
SPC, G-N algorithm, the method for ModuLand, DME, MINE, SVD carry out.
8. the method according to any one of claims 1 to 5, it is characterized in that, optionally, being obtained for step (2) is middle
The first action target spot set and the second action target spot set, target spot is added according to the prescription compatible experiments of Chinese medicine compound prescription
Power；
Preferably, step (2) includes：
(2-1B) divides for whole chemical compositions in the first chemical composition set and the second chemical composition set in step (1)
Corresponding action target spot set is not obtained, obtains the first action target spot set and the second action target spot set；
(2-2B) for whole target spots in the first action target spot set and the second action target spot set, according to Chinese medicine compound prescription compatibility
Middle monarch, minister help, medicine classification are made to correspond to the weighting that the mode that target spot weight is successively decreased carries out target spot set, and first after being weighted
The second action target spot set after action target spot set and weighting, for carrying out the target spot set pair in step (4) with step (3)
Than analysis.
9. according to the method described in claim 8, it is characterized in that, in the step (2-1B), the first action target spot set and
Target spot in second action target spot set is gene or albumen；
Preferably, in the step (2-2B), according to monarch, minister in compound, the actual prescription usage ratio of medicine classification is helped, made to it
Corresponding chemical composition action target spot is weighted；It is highly preferred that by monarch, minister, the corresponding target of chemical composition helped, make medicine classification
O'clock according to 8:4:2:1、4:2:1:1 or 2:1:1:1 ratio is weighted, wherein when chemical composition or its corresponding action target spot
When belonging to multiple classifications simultaneously, according to monarch, minister, the priority helped, medicine classification is made to successively decrease, by the chemical composition or its correspondence
Action target spot be determined as the higher classification of priority.
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