CN104764842A - Method for screening drug effect and component relationship of cinnamomum camphora-processed magnolia bark stir-baked with ginger - Google Patents
Method for screening drug effect and component relationship of cinnamomum camphora-processed magnolia bark stir-baked with ginger Download PDFInfo
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Abstract
The invention discloses a method for screening drug effect and component relationship of cinnamomum camphora-assistantly processed magnolia bark stir-baked with ginger, main ingredients of PC1, PC2, PC3 and PC4 are selected by use of RP-HPLC (reversed phase-high-performance liquid chromatography) fingerprint, each drug effect data before and after processing of magnolia bark is processed by use of inhibition rate, the processed data is substituted into principal component analysis (PCA)-artificial neural network (ANN) for analysis, the selected four main ingredients of PC1, PC2, PC3 and PC4 are used as neural network inputs, and the drug effect index average inhibition rate is used as an output for the establishment of a three-layer structure BP (back-propagation) neural network model to determine the peak of the main ingredients impacting the drug effect, at the same time, according to the area of the peak of each main ingredient before and after processing of the magnolia bark with ginger juice, the mass ratio is determined, and a component and drug effect correlation analysis model is established. According to the method, the drug effect and component relationship of the cinnamomum camphora-processed magnolia bark stir-baked with ginger is screened by use of the principal component analysis (PCA)-artificial neural network (ANN) method, under the condition of determination of the mass ratio of the area of the peak of each main ingredient of the cinnamomum camphora-assistantly processed magnolia bark stir-baked with ginger, best drug effect of the magnolia bark on anti-inflammatory, analgesic and stomach power three aspects can be obtained, and the method lays the foundation for illuminating the processing mechanism of the cinnamomum camphora-assistantly processed magnolia bark stir-baked with ginger.
Description
Technical field
The present invention relates to pharmacokinetics and efficacy field, specifically a kind of method of screening camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice drug effect and its composition relation.
Background technology
The bark of official magnolia is the dry dry hide of the Magnoliacea plant bark of official magnolia or Magnolia bilola, Gen Pi and branch skin, and the bark of official magnolia is the traditional Chinese medicine of removing dampness by means of aromatics of China, is clinical conventional Chinese crude drug.Bark of official magnolia bitter, pungent, tepor, returns spleen, stomach, lung, large intestine channel, and the bark of official magnolia has effect of promoting qi circulation to remove dampness, relieving asthma, and cure mainly in humidity hysteresis wound, gastral cavity ruffian is vomited and diarrhoea, and stagnation of QI due to dyspepsia, phlegm and retained fluid is breathed with cough.What the Song dynasty had " not with ginger system, then sour jujube people mouthpiece " says, therefore the bark of official magnolia is in clinical raw use.
Principal Components Analysis-Artificial Neural Network Analysis PCA-ANN is a kind of technological means by principal component analysis (PCA) and artificial nerve network model coupling.Wherein principal component analysis (PCA) PCA is a kind of statistical analysis technique grasping things principal contradiction, it can parse major influence factors from polynary things, disclose the essence of things, simplify complicated problem, the object calculating major component is that high dimensional data is projected to comparatively lower dimensional space.Artificial neural network ANN is movable with mathematical model imictron, a kind of information handling system set up based on imitation cerebral nerve network structure and function, it has very strong nonlinear function approximation capability, have powerful fault-tolerance, it can realize the functions such as emulation, bianry image identification, prediction and fuzzy control, is the powerful of process nonlinear system.Choose nonlinear function approximation capability powerful in the thought of dimensionality reduction in principal component analysis (PCA) and artificial neural network, in conjunction with the major component of Cortex Magnoliae Officinalis finger-print through screening, it can be used as the input of artificial neural network, simultaneously using pharmacodynamics index parameter main for the bark of official magnolia as output, for Cortex Magnoliae Officinalis, the stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice especially with camphor tree side process of preparing Chinese medicine characteristic provides reference by PCA-ANN method foundation " peak-effect " relation, discloses processing excipient.
" Shi Zhen state medicine " adopts electrochemical oscillation technology to drawing Different sources cassia seed and adulterant finger-print thereof in 22 volume 8 phases in 2011 " evaluation study based on the cassia seed electrochemical oscillation finger-print of principal component analysis (PCA) ", principal component analysis (PCA) is utilized to carry out information analysis and identification and classification to collection of illustrative plates, set up reproducibility of fingerprint, have good stability, cassia seed and its adulterant finger-print difference obvious, Different sources cassia seed finger-print is close, but obtains good differentiation on binary major component planimetric map.Based on the electrochemical oscillation finger-print of principal component analysis (PCA), method is easy, and reliability is high, may be used for discriminating and the quality control of Different sources cassia seed and adulterant thereof.By principal component analysis (PCA) cluster analysis carried out to 4 kinds of medicinal materials in volume 3 phase in " Chinese crude drug " March 35 in 2012 " utilizing principal component analysis (PCA) and neural network to differentiate 8 kinds of Labiatae medicinal materials " and obtain their ultraviolet-visible finger-print, then carrying out Variety identification in conjunction with artificial neural network technology.Principal component analysis (PCA) shows, the accumulation confidence level of major component 1 and major component 2 reaches 99%, with the shot chart that major component 1 and 2 is made the score value of all modeling samples, to 4 kinds of medicinal materials, there is good differentiation effect, utilize and as the input of neural network, three layers of BP artificial nerve network model are set up for the characteristic wave bands of 4 kinds of medicinal material kind sensitivities. predict 20 samples of the unknown, variety ecotype rate of accuracy reached is to 100%.Principal component analysis (PCA) and finger print method is adopted in West China Journal of Pharmaceutical Sciences 27 volume 2 phases in 2012 " finger-print and principal component analysis (PCA) evaluate the quality of folium cortex eucommiae ", the quality of 4 Different sources, 20 batches of folium cortex eucommiaes is evaluated, high-efficient liquid phase technique is adopted to detect and determine 14 total peaks of 20 batches of medicinal materials fingerprints, adopt two-dimentional Two indices evaluation assessment and PCA statistical analysis method, count the characteristic distributions of bark of eucommia component.In Different sources Eucommia Samples, fingerprint component is different, and the major constituent determined significantly can distinguish the Different sources of medicinal material, and the quality research of the entirety control and preparation thereof that can be folium cortex eucommiae quality of medicinal material provides foundation.
But these methods can not filter out the relation of medicine effect and its composition, and find the screening technique of a kind of quick camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice drug effect and composition relation, thus determine that the processing excipient of camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice is one of modern key scientific problems of camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice.
Summary of the invention
The object of the present invention is to provide one fast and accurately, to solve the problem proposed in above-mentioned background technology.
For achieving the above object, the invention provides following technical scheme:
Screen a method for camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice drug effect and its composition relation, concrete steps are as follows:
(1) using RP-HPLC finger-print to choose main composition is PC1, PC2, PC3 and PC4;
(2) adopt inhibiting rate to process the anti-inflammatory before and after the bark of official magnolia process of preparing Chinese medicine, analgesia and the efficacy data to gastrointestinal effect, then process the data obtained is brought into PCA-ANN analysis;
(3) using choose four major component PC1, PC2, PC3 and PC4 as the input of neural network, each pharmacodynamics index average inhibition, as output, is set up the BP neural network model of a three-decker, after carrying out Multi simulation running experiment, is determined network structure;
(4) by Mean Impact Value MIV, each independent variable of network model is evaluated, determine the principal ingredient peak affecting drug effect;
(5) analytical model associated with composition-drug effect according to each major component peak area concocting kind gained of the bark of official magnolia filters out principle active component;
(6) content of each major component is compared, obtain the impact of composition transfer on drug effect, and the analytical model of composition-drug effect association is set up to it.
Compared with prior art, the invention has the beneficial effects as follows:
The present invention adopt PCA-ANN method filter out camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice drug effect and its composition between relation, determine in each main composition peak area quality of camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice than under condition, the optimum medicine efficacy of the bark of official magnolia in anti-inflammatory, analgesia, WeiDongLi Capsule three can being obtained, laying the foundation for illustrating camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice processing excipient.
Accompanying drawing explanation
Fig. 1 is raw product bark of official magnolia HPLC fingerprint image spectrogram in the present invention.
Fig. 2 is pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice HPLC fingerprint image spectrogram in the present invention.
Fig. 3 is the white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice HPLC fingerprint image spectrogram of camphor tree side band in the present invention.
Fig. 4 is that in the present invention, white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice HPLC fingerprint image spectrogram is washed by camphor tree side.
Fig. 5 is that in the present invention, camphor tree side does not go out white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice HPLC fingerprint image spectrogram.
Fig. 6 is the network training error curve diagram of dimethylbenzene induced mice auricle edema Y1 in the present invention.
Fig. 7 is the network simulation figure of dimethylbenzene induced mice auricle edema Y1 in the present invention.
Fig. 8 causes to ice vinegar the network training error curve diagram that mouse capillary permeability strengthens Y2 in the present invention.
Fig. 9 causes to ice vinegar the network simulation figure that mouse capillary permeability strengthens Y2 in the present invention.
Figure 10 is the network training error curve diagram in the present invention, mouse chemical stimulation being caused to writhing response Y3.
Figure 11 is the network simulation figure in the present invention, mouse chemical stimulation being caused to writhing response Y3.
Figure 12 is the network training error curve diagram to Mouse Stomach residual rate Y4 in the present invention.
Figure 13 is the network simulation figure to Mouse Stomach residual rate Y4 in the present invention.
Figure 14 is the network training error curve diagram to mouse small intestine propelling rate Y5 in the present invention.
Figure 15 is the network simulation figure to mouse small intestine propelling rate Y5 in the present invention.
Figure 16 is the load value figure in the present invention between major component PC1 and major component PC2.
Figure 17 is the load value figure in the present invention between major component PC1 and major component PC4.
Figure 18 is the load value figure in the present invention between major component PC2 and major component PC4.
Embodiment
Be described in more detail below in conjunction with the technical scheme of embodiment to this patent.
Refer to Fig. 1, a kind of method of screening camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice drug effect and its composition relation, concrete steps are as follows:
(1) using RP-HPLC finger-print to choose main composition is PC1, PC2, PC3 and PC4;
(2) adopt inhibiting rate to process the anti-inflammatory before and after the bark of official magnolia process of preparing Chinese medicine, analgesia and the efficacy data to gastrointestinal effect, then process the data obtained is brought into PCA-ANN analysis;
(3) using choose four major component PC1, PC2, PC3 and PC4 as the input of neural network, each pharmacodynamics index average inhibition, as output, is set up the BP neural network model of a three-decker, after carrying out Multi simulation running experiment, is determined network structure;
(4) by Mean Impact Value MIV, each independent variable of network model is evaluated, determine the principal ingredient peak affecting drug effect;
(5) analytical model associated with composition-drug effect according to each major component peak area concocting kind gained of the bark of official magnolia filters out principle active component;
(6) content of each major component is compared, obtain the impact of composition transfer on drug effect, and the analytical model of composition-drug effect association is set up to it.
The chromatographic condition of described RP-HPLC finger-print is as follows: 4.6 × 250mm, the chromatographic column DiamonsilC of 5 μm
18, the mobile phase acetonitrile solution of phosphoric acid, determined wavelength is 220nm, and the column temperature of chromatographic column is 35 DEG C, and flow velocity is 1.0mlmin
-1, analysis time is 95min, and sample size is 20 μ L, and the chromatogram gradient condition of described chromatographic column is as shown in table 1:
Refer to Fig. 1-5, select five kinds of bark of official magnolia samples, make a living respectively the product bark of official magnolia, pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice, camphor tree side band white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice, camphor tree side wash white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice and camphor tree side do not go out white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice, according to the raw product bark of official magnolia, pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice, the white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice of camphor tree side band, white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice is washed by camphor tree side and camphor tree helps the fingerprint image spectrogram of white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice to find out nine total peaks, supposes that the composition at each peak is respectively X
1, X
2, X
3, X
4, X
5, X
6, X
7, X
8, X
9, nine total peak relative peak area argument datas are as shown in table 2:
According to the data analysis of table 2, obtain nine total peak relative area independents variable carry out principal component analysis (PCA) after four major component PC1, PC2, PC3 and PC4 contribution rate as shown in table 3:
As shown in Table 3, the variance accumulation contribution rate of four major components is 100% > 85%, and illustrate that these four major components can replace nine original total peak relative area independents variable, its corresponding major component load value is as shown in table 4:
For item major component PC1, known:
PC1=0.3476X
1+0.3147X
2+0.3435X
3+0.4057X
4+0.3561X
5+0.3364X
6+0.3925X
7+0.1758X
8+0.2696X
9。
The effect produced due to each pharmacodynamics index is different, and then the result weighing pharmacodynamics index also can produce larger difference, for making experimental data more directly perceived, the present invention adopts inhibiting rate to process the anti-inflammatory before and after the bark of official magnolia process of preparing Chinese medicine, analgesia and the efficacy data to gastrointestinal effect, process the data obtained is brought into PCA-ANN to analyze, inhibiting rate formula is as follows again:
The efficacy data process that the described bark of official magnolia concocts the antiinflammation of front and back comprises by the inhibiting rate of P-xylene induced mice auricle edema Y1 and causes to ice vinegar the inhibiting rate that mouse capillary permeability strengthens Y2, and the inhibiting rate of described P-xylene induced mice auricle edema Y1 is as shown in table 5:
Describedly mouse capillary permeability is caused to ice vinegar to strengthen the inhibiting rate of Y2 as shown in table 6:
The efficacy data of the analgesic activity before and after the described bark of official magnolia process of preparing Chinese medicine is treated to and causes the inhibiting rate of writhing response Y3 as shown in table 7 to mouse chemical stimulation:
The efficacy data process that the described bark of official magnolia concocts the functions of intestines and stomach effect of front and back comprises the average inhibition of Stomach residue rate Y4 and the inhibiting rate of Intestinal propulsive rate Y5, as shown in table 8:
Using choose four major component PC1, PC2, PC3 and PC4 as the input of neural network, each pharmacodynamics index average inhibition, as output, sets up the BP neural network model of a three-decker, after carrying out Multi simulation running experiment, determines that network structure is 4-10-1; The hidden layer of described BP neural network model adopts tansig function, and output layer adopts the transport function of purelin, and trainlm function is training function.If study step number is 100 steps, learning objective is 0.0001, and learning rate is 0.1.The network training error curve diagram of each pharmacodynamics index average inhibition and analogous diagram are respectively as shown in Fig. 6-15.
By Mean Impact Value MIV, each independent variable of network model is evaluated, determine the principal ingredient peak affecting drug effect, Mean Impact Value MIV is considered to be in neural network model and evaluates input variable and affect one of best index to output variable, the order of magnitude of Mean Impact Value MIV represents the relative importance of its impact, symbology correlativity positive and negative.In BP neural network model each major component to the Mean Impact Value MIV of antiinflammatory action and sequence as shown in Table 9 and Table 10:
From table 9 and table 10, major component PC1, major component PC2 P-xylene cause the experiment of mice auricle swelling and glacial acetic acid and cause the increase of mouse capillary permeability and present positive correlation.Major component PC1, major component PC2 load value between any two as shown in figure 16.
In BP neural network model, each major component is to the Mean Impact Value MIV of analgesic activity and sort as shown in table 11:
As shown in Table 11, PC1, PC4 cause writhing response to present positive correlation to mouse chemical stimulation, and its relative importance order is: PC1 > PC4, and PC1, PC4 load value between any two as shown in figure 17.
In BP neural network model each major component to the Mean Impact Value MIV of gastrointestinal effect and sequence as shown in table 12 and 13:
From table 12 and table 13, PC1, PC4 present positive correlation to little functions of intestines and stomach, and its relative importance order is: PC2 > PC4, and PC2, PC4 load value between any two as shown in figure 18.
Principle active component is filtered out according to the analytical model that each major component peak area concocting kind gained of the bark of official magnolia associates with composition-drug effect, the content of each major component is compared, obtain the impact of composition transfer on drug effect, and it is set up to the analytical model of composition-drug effect association, the corresponding content ratio of each processed product described is as shown in table 14:
Refer to Figure 16, X
2, X
7, X
8, X
9these four kinds of materials may be mouse corrosion disease effect principle active component, wherein X
8, X
9for known composition honokiol honokiol, have lot of documents to report, honokiol honokiol has good antiinflammatory action, and therefore this result conforms to bibliographical information, and from HPLC finger-print, relative peak area obtains: for X
2, X
7, X
8, X
9: camphor tree helps out white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice > pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice, and X
7: camphor tree side does not go out white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice > pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice, can obtain the obtained camphor tree of camphor tree side concocted method thus and help out white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice and camphor tree to help white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice on antiinflammatory action, be better than pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice.
Refer to Figure 17, X
1, X
3, X
8, X
9these four kinds of materials may be mouse analgesic activity principle active component, wherein X
8, X
9for known composition honokiol, magnolol.Have lot of documents to report, honokiol, magnolol all have good analgesic activity, and both analgesic activities are suitable, can obtain, X from figure
8, X
9also be suitable to the combined action of analgesic activity, therefore this result conforms to bibliographical information.From HPLC finger-print, relative peak area obtains: for X
1, X
3, X
8, X
9: camphor tree helps out white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice > pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice, can obtain the obtained camphor tree of camphor tree side concocted method thus and help out white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice it is better than pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice on analgesic activity.
Refer to body 18, X
8, X
9these two kinds of materials may be the principle active component promoting gastrointestinal motility, X
8, X
9for known composition honokiol, magnolol.From HPLC collection of illustrative plates, relative peak area obtains: for X
8, X
9: camphor tree helps out white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice > pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice, can obtain the camphor tree side camphor tree that obtains of concocted method thus and help out its effect on gastrointestinal function of white stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice to be better than pharmacopeia stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice.
The invention has the advantages that and determine X in conjunction with PCA-ANN method
1︰ X
2︰ X
3︰ X
4︰ X
5︰ X
6︰ X
7︰ X
8︰ X
9during=1.44 ︰ 0.40 ︰ 2.50 ︰ 2.90 ︰ 2.69 ︰ 1.00 ︰ 2.79 ︰ 26.93 ︰ 105.67, be the mass ratio of bark of official magnolia drug effect the best in anti-inflammatory, analgesia, WeiDongLi Capsule three, effectively illustrate the relation between camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice drug effect and composition.
The present invention adopt PCA-ANN method filter out camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice drug effect and its composition between relation, determine in each main composition peak area quality of camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice than under condition, the optimum medicine efficacy of the bark of official magnolia in anti-inflammatory, analgesia, WeiDongLi Capsule three can being obtained, laying the foundation for illustrating camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice processing excipient.
Above the better embodiment of this patent is explained in detail, but this patent is not limited to above-mentioned embodiment, in the ken that one skilled in the relevant art possesses, various change can also be made under the prerequisite not departing from this patent aim.
Claims (1)
1. screen a method for camphor tree side stir-baked CORTEX MAGNOLIAE OFFICINALIS with rhizoma zingiberis recens juice drug effect and its composition relation, it is characterized in that, concrete steps are as follows:
(1) using RP-HPLC finger-print to choose main composition is PC1, PC2, PC3 and PC4;
(2) adopt inhibiting rate to process the anti-inflammatory before and after the bark of official magnolia process of preparing Chinese medicine, analgesia and the efficacy data to gastrointestinal effect, then process the data obtained is brought into PCA-ANN analysis;
(3) using choose four major component PC1, PC2, PC3 and PC4 as the input of neural network, each pharmacodynamics index average inhibition, as output, is set up the BP neural network model of a three-decker, after carrying out Multi simulation running experiment, is determined network structure;
(4) by Mean Impact Value MIV, each independent variable of network model is evaluated, determine the principal ingredient peak affecting drug effect;
(5) analytical model associated with composition-drug effect according to each major component peak area concocting kind gained of the bark of official magnolia filters out principle active component;
(6) content of each major component is compared, obtain the impact of composition transfer on drug effect, and the analytical model of composition-drug effect association is set up to it.
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