216 results about "Network pharmacology" patented technology

The invention relates to the technical field of traditional Chinese medicine research, in particular to a discovery method of a cough relieving and phlegm eliminating quality marker of cough relieving granules and the quality marker. According to the application, the cough-relieving and phlegm-eliminating drug effects of the cough-relieving granules are evaluated by virtue of concentrated ammonia water cough inducing and phenol red excretion tests, plasma pharmaceutical chemistry research of the cough-relieving granules is developed by virtue of a UHPLC-Q-Exactive Plus Orbitrap HRMS technology, and 26 prototype blood-entering components of the cough-relieving granules are analyzed and identified; through network pharmacological analysis of components entering blood, 11 potential active components for relieving cough and eliminating phlegm of the cough-relieving granules are screened, relate to 40 common targets such as IL6, TLR4, STAT3 and the like, and mainly participate in signal channels such as PI3K-Akt, HIF-1, EGFR (epidermal growth factor receptor) and the like; the seven prototype blood-entering components are quantitatively analyzed by utilizing pharmacokinetics. The three compounds of azelaic acid, caffeic acid and vanillin are used as the cough relieving and phlegm eliminating quality markers of the cough relieving granules through effectiveness, transitivity and testability. The research result is of great significance in deeply defining the pharmacodynamic material basis of the cough-relieving granules, optimizing the quality standard and promoting the clinical application of the cough-relieving granules.

The invention discloses a traditional Chinese medicine composition for treating skin diseases and a preparation method of the traditional Chinese medicine composition. The traditional Chinese medicine composition is prepared from the following raw materials in parts by weight: 6-12 parts of radix notoginseng, 8-15 parts of radix salviae miltiorrhizae, 10-20 parts of rhizoma chuanxiong, 8-15 parts of rhizoma curcumae longae, 15-35 parts of radix angelicae sinensis, 3-8 parts of sandalwood, 3-8 parts of fructus aurantii immaturus, 40-60 parts of ramulus cinnamomi, 8-15 parts of rhizoma corydalis, 8-15 parts of rhizoma curcumae, 2-5 parts of flos carthami, 5-12 parts of radix puerariae, 8-15 parts of radix rehmanniae, 3-8 parts of pericarpium citri reticulatae and 8-15 parts of spica prunellae. The traditional Chinese medicine composition is prepared from 3-8 parts of radix trichosanthis, 15-35 parts of tribulus terrestris, 15-35 parts of cicada slough, 5-12 parts of stiff silkworm and 8-15 parts of rhizoma drynariae. According to a multi-target collaborative mechanism, network pharmacology proves that 12 pathological pathways such as IL-17A and the like can be regulated and controlled, and the TNF-alpha inhibition rate is 89% and the barrier repair speed is increased by 2.3 times through key component combination. According to a transdermal synergistic technology, the specific surface area of the medicine reaches 8.5 m < 2 > / g through superfine grinding, a Franz test shows that the penetration amount of tanshinone is increased by 3.7 times, and the onset time is shortened to 8.3 minutes. Dual scar regulation and control: the thickness of scars in 12 weeks is reduced by half through TGF-beta3 up-regulation and alpha-SMA inhibition, and the collagen order degree is improved by 3.2 times.

The application provides application of grass aconite in preparation of anti-epilepsy drugs and a mechanism analysis method, relates to the technical field of anti-epilepsy drugs, and discloses a "drug active ingredient-key target point-disease-pathway" network diagram of the grass aconite anti-epilepsy by starting from the chemical structure of the effective component of the grass aconite, applying network pharmacology and molecular docking technology, revealing how the active component of the grass aconite plays the drug efficacy through "multi-target point, multi-pathway and multi-pathway" combined regulation, predicting the anti-epilepsy target point and mechanism of the grass aconite, and providing certain theoretical reference for research and development of the grass aconite as an anti-epilepsy drug and a functional food.

The invention discloses a method for analyzing a mechanism of treating leucopenia by using a Shengbai oral liquid by using a network pharmacology mode, and the method is based on an HITS algorithm, and identifies key regulation and control nodes through hub and authority scores of nodes. An analysis result shows that PPBP, ALOXE3 and CCR1 are hub genes ranked in the first three, and PPBP not only has the highest hub score, but also shows the most significant expression change. In a bone marrow microenvironment, PPBP / CXCL7 may affect differentiation and maturation of hematopoietic stem cells and promote generation of specific types of leukocytes.

The invention provides a method for predicting microorganism-drug interaction through a double hypergraph contrast learning framework based on hierarchical attention, and solves the problems that the graph structure is simple, the interpretable analysis is increased, and the prediction precision is improved. The method consists of three modules: S1, data preprocessing: carrying out nonlinear fusion on similarity data of microorganisms and drugs to obtain comprehensive similarity of the microorganisms and the drugs, and forming a double hypergraph by combining an original incidence matrix and the comprehensive similarity with KNN and K-means algorithms; s2, feature extraction: sending the double-hypergraph obtained in the step S1 into a hierarchical attention and hypergraph convolutional network to obtain feature embedding, updating features based on comparison learning of the double-hypergraph, and fusing the double-hypergraph features through an integration network. And S3, result prediction: mapping the microorganism and drug characteristics obtained in the step S2 by using a full connection layer to obtain final characteristics, and performing dot product to obtain a prediction score. And outputting the obtained prediction score in combination with specific literature verification and a network pharmacology verification model.

The invention discloses an application of a pharmaceutical composition of erianin (ERI) and sorafenib (SOR) in preparation of an anti-liver cancer drug. The invention further discloses a pharmaceutical composition which comprises ERI and SOR, and the specific molar ratio of ERI to SOR is optimized and determined through an in-vitro experiment. The composition is developed based on multi-mode screening (network pharmacology prediction, molecular docking and molecular dynamics simulation) of STAT3 targets, and in-vitro experiments prove that the composition has synergistic anti-tumor activity and can be used for preparing anti-liver cancer drugs. The invention further discloses a development method of the ERI-SOR composition integrated with multi-mode computational simulation. Experiments prove that ERI and SOR both show a remarkable synergistic effect (combination index (CI) lt, 1) at the concentration of 0.5-16 [mu] M, CI at the optimal ratio (1: 1, 4 [mu] M + 4 [mu] M) reaches 0.617, the cell proliferation inhibition effect is remarkable compared with that of a single drug, and the excellent synergistic effect is shown.

The invention discloses a screening method of application of a mysorethorn cold mixture to treatment of respiratory syncytial virus. According to the method, network pharmacology and a molecular docking technology are combined, and active ingredients, action targets and action mechanisms of the mysorethorn cold mixture for treating respiratory syncytial virus diseases are explored; an experimental basis is provided for treating the respiratory syncytial virus disease by the mysorethorn cold mixture, and the mysorethorn cold mixture is of great significance in promoting clinical application of traditional Chinese medicines in treating the respiratory syncytial virus disease.

The invention belongs to the technical field of food nutrition, and discloses application of an artemisia selengensis extract in preparation of a medicine for improving neurodevelopmental disorder and the medicine. The artemisia selengensis extract has the following advantages and effects: the research finds that the artemisia selengensis extract has the effect of improving neurodevelopmental disorders, which is specifically embodied in that the artemisia selengensis extract can effectively increase the activity of acetylcholin esterase, lower the content of ROS (reactive oxygen species), up-regulate antioxidant indexes (GSH (glutathione) content and sod1 and cat gene expression) and relieve oxidative stress injury of zebrafish caused by NP (natriuretic peptide); meanwhile, the artemisia selengensis extract can also up-regulate the expression of a neural development gene (alpha 1-tubulin, mbp) so as to improve the neural development disorder of the zebrafish; besides, the mechanism of improving the zebrafish neurodevelopmental disorder by the artemisia selengensis extract is mainly realized through a p38 / 5-HT / Wnt / beta-catenin signal channel, expression of p38a is down-regulated (network pharmacology finds that p38 in MAPHK is a main mechanism channel), and expression of htr1aa, maoa, wnt4a and beta-catenin is down-regulated.

The invention relates to the technical field of traditional Chinese medicines, and discloses application of an active ingredient of shiny-leaved yellowhorn leaves in preparation of a medicine for treating hyperuricemia. The xanthoceras sorbifolia leaf active ingredients comprise quercitrin, rutin and myricetin; the content of quercitrin is 0.2508 mg / g to 0.6719 mg / g, the content of rutin is 0.6707 mg / g to 1.5831 mg / g, and the content of myricetin is 0.8002 mg / g to 3.4858 mg / g. According to the invention, myricetin, quercitrin and rutin are determined as core effective substances of shiny-leaved yellowhorn leaves for treating hyperuricemia for the first time; the multi-target and multi-channel action mechanism is disclosed; meanwhile, network pharmacological analysis shows that the three components have high connectivity in a network and jointly act on key targets such as XOD, ACE, AKR1B1 and TNF, it is prompted that the three components do not act singly, but play a treatment role through multi-target and multi-channel cooperation, the traditional'single target-single drug 'thinking is changed into a'multi-component-multi-target-multi-channel' system regulation mode, and the treatment effect is improved. A new thought is provided for comprehensive treatment of the hyperuricemia.

The invention provides a traditional Chinese medicine composition, a traditional Chinese medicine preparation, a preparation method and application, and particularly belongs to the technical field of traditional Chinese medicine. The invention provides a traditional Chinese medicine composition. The traditional Chinese medicine composition comprises the following components in parts by weight: 20-50 parts of parched white peony root, 8-15 parts of pawpaw, 10-20 parts of radix clematidis, 20-40 parts of caulis spatholobi, 5-12 parts of honey-fried licorice root, 10-20 parts of fructus broussonetiae, 10-20 parts of radix cyathulae and 5-12 parts of cassia twig. The traditional Chinese medicine composition has great potential in the aspects of treating kOA and inhibiting osteophyte formation, and can be used for improving kOA cartilage injury. Through in-vitro experiments, network pharmacology and in-vivo experiments, the curative effect of XBD in treating kOA and the effect of XBD in inhibiting osteophyte formation are verified, it is proved that XBD has a regulation effect on cartilage degeneration and osteophyte formation, and an important thought is provided for developing innovative drugs with cartilage protection and abnormal osteophyte formation inhibition functions.

The invention discloses a coumarin-thiosemicarbazide compound and application of the coumarin-thiosemicarbazide compound. The preparation method comprises the following steps: firstly, synthesizing a coumarin-thiosemicarbazide derivative, and carrying out in-vitro antioxidant activity screening to obtain preferable derivatives 4g and 4i; analyzing an antioxidant action target based on network pharmacology and molecular docking, and performing intersection mapping on the action target and the antioxidant target of the compounds 4g and 4i to obtain a common target; constructing a PPI interaction network, and screening to obtain potential core targets; carrying out GO function and KEGG pathway enrichment analysis on the core target spot to obtain a related biological process and signal pathway; and carrying out molecular docking operation on the key target spot and compounds 4g and 4i to verify the binding capacity of the compounds and the target spot. Potential antioxidant targets and modern biological mechanisms of the derivatives 4g and 4i are preliminarily revealed by using a network pharmacology method, and important guidance and basis are provided for development of antioxidant drugs.

The invention discloses a traditional Chinese medicine composition for preventing and treating alcoholic liver injury, and relates to the technical field of traditional Chinese medicines, and the traditional Chinese medicine composition is prepared from the following raw materials in parts by mass: 10 to 15 parts of radix puerariae, 6 to 12 parts of semen hoveniae, 6 to 10 parts of radix angelicae sinensis, 6 to 10 parts of fructus lycii and 2 to 5 parts of liquorice root. Based on the treatment rule of'dispelling effects of alcohol, regulating qi and blood and tonifying liver and kidney 'in traditional Chinese medicine, medicinal and edible traditional Chinese medicines such as radix puerariae and hovenia dulcis thunb are primarily screened, and meanwhile, a'multi-target synergistic mechanism' predicted by network pharmacology is constructed and converted into a quantifiable treatment effect. The experimental data not only verifies the key pathway of GO / KEGG enrichment, but also systematically verifies the compound liver protection effect through multi-scale indexes such as visceral organ indexes, serum enzymology, histopathology and the like. The research not only provides a novel compound with a clear mechanism for ALD, but also demonstrates the feasibility of driving the precise design of a traditional Chinese medicine compound by network pharmacology, and lays a methodological foundation for modern development of medicinal and edible resources.

The invention provides a traditional Chinese medicine delivery system of temperature-sensitive gel for allergic rhinitis based on a fructus xanthii formula, belongs to the technical field of pharmaceutical preparations, and solves the technical problems that the existing allergic rhinitis medicines are mainly hormone, have repeated effects and the like. Comprising the following preparation steps: S1, initially preparing a traditional Chinese medicine formula of the cocklebur fruit powder for treating rhinitis; s2, performing raw material level network pharmacology prediction; s3, trial production of a raw material grade temperature-sensitive gel product; s4, carrying out raw material grade experiment testing; s5, carrying out pharmacological prediction on the monomer-level network; s6, carrying out preliminary trial production on the monomer-grade temperature-sensitive gel product; s7, carrying out monomer-level preliminary experiment testing; s8, upgrading the formula; s9, carrying out trial production on the monomer-grade temperature-sensitive gel product again; and S10, carrying out experimental test on the monomer level again to confirm the most effective traditional Chinese medicine formula. According to the invention, a set of closed-loop iteration system of clinical experience-network pharmacology prediction-response surface process optimization-multi-level pharmacodynamic verification is constructed, and a traditional Chinese medicine delivery product which is controllable in quality, clear in mechanism and excellent in curative effect and is used for effectively treating allergic rhinitis can be prepared.

The invention discloses application of jellyfish and snow rabbits in inhibition of ERK phosphorylation level and MAPK pathway and an evaluation method of the jellyfish and snow rabbits, and relates to the technical field of biological medicines.The method comprises the following steps that 1, a treated jellyfish and snow rabbits breast cancer cell group and a control breast cancer cell group are established; and step 2, respectively dividing the two groups of samples in the step 1 into two parts, fixing one part in paraformaldehyde with the mass concentration of 10%, treating, embedding in paraffin for immunohistochemical analysis, and quickly freezing the other part for transcriptomics analysis and the like. According to the invention, UPLC-MS is adopted to determine the main components of SMM, the influence of SMM on breast cancer (BC) is evaluated through in-vivo experiments, in order to deeply clarify the mechanism, network pharmacology and transcriptomics analysis are integrated, finally, immunohistochemistry (IHC) is adopted to verify and explore the exact breast cancer resisting mechanism of SMM, and a scientific basis is provided for potential clinical application of SMM.

The present invention proposes an inductive traditional Chinese medicine target relationship discovery method and system based on multi-scale HGT. The method includes: constructing a heterogeneous information graph based on the original data of traditional Chinese medicine, drug molecules, targets, and diseases, and performing node initialization operations on the heterogeneous information graph; inputting the initialized node features into the topological robust local attention for local representation; inputting the initialized node features into the global attention for global node representation; inputting the local representation of the nodes and the global representation of the nodes into the feature fusion module to perform concatenation operations and feature fusion in sequence; inputting the final feature representation into the prediction model for prediction to obtain the prediction result. The present invention comprehensively characterizes the rich semantics and multiple relationships among traditional Chinese medicine, targets, molecules, and diseases extracted from the traditional Chinese medicine network pharmacology database by constructing a new traditional Chinese medicine-target heterogeneous graph.

The invention provides an AI-assisted network pharmacology exploration method for treating liver cancer by Qi-tonifying and Zhongzhong decoction, which is used for revealing a molecular mechanism of the Qi-tonifying and Zhongzhong decoction for treating liver cancer. The research belongs to the field of computer-aided drug design, and aims to systematically promote key links of drug development through a mode of combining multi-database resource integration with an AI technology. Firstly, a plurality of authoritative databases are comprehensively utilized to screen potential active components and target genes thereof, gene expression data in a GEO database are combined, a disease-related gene network is constructed through an AI algorithm, and core target genes for liver cancer treatment are accurately recognized. Secondly, on the basis of a ChEMBL database and an AI auxiliary screening method, candidate compounds highly related to core target genes are mined; afterwards, through a full-automatic molecular docking technology and molecular dynamics simulation, the binding performance and stability of the candidate compound and the core target spot on the molecular level are deeply evaluated, and therefore the stable compound with the excellent binding characteristic is screened out. Finally, the efficacy and safety of the Qi-tonifying and middle-jiao-strengthening decoction are verified through in-vitro experiments, and a theoretical basis and experimental support are further provided for a molecular mechanism of the Qi-tonifying and middle-jiao-strengthening decoction for treating liver cancer. According to the research, on the basis of multi-database resource integration, artificial intelligence and an advanced calculation simulation technology are combined, a systematic process from drug discovery to verification is established, and an innovative method and a practical path are provided for modernization and precise tumor treatment of traditional Chinese medicine.

The invention discloses a traditional Chinese medicine composition and application thereof in medicine for improving non-alcoholic fatty liver, and the traditional Chinese medicine composition comprises pulvis fellis suis, pericarpium citri reticulatae, hawthorn and clostridium butyricum. On one hand, potential targets and pathways of drug diseases are determined in network pharmacological analysis, and on the other hand, in an in-vivo experiment, the drug provided by the invention improves obesity and impaired glucose tolerance caused by HFD, reduces the blood fat level, alleviates inflammation, protects the liver, alleviates liver fat vacuole deposition and fatty degeneration, and has a good application prospect. It is proved that the bile acid-hawthorn and pericarpium citri reticulatae-clostridium butyricum combination has prevention and treatment and protection effects on the HFD-induced non-alcoholic fatty liver disease.

The invention belongs to the technical field of chemical medicines, and particularly relates to a novel triterpene alcohol ferulate compound as well as a preparation method and medical application thereof. According to the invention, oryzanol is used as a raw material, and the new triterpene alcohol ferulate compound is obtained through reversed-phase preparative high performance liquid chromatography and SFC chiral separation and purification. A method and a tool of network pharmacology are used for researching the action mechanism of potential anti-inflammatory and anti-infection related treatment of the new compound. Hierarchical analysis from a global network to a core target reveals a possible action mechanism of the compound in anti-inflammatory and anti-infection, and highlights a regulation mode of a key acting protein. Wherein IGF1R, CTSS, MMP2, BCL2 and other proteins may be core regulatory factors of compound mediated host immune regulation and bacterial drug resistance inhibition, and an important theoretical basis is provided for further research on molecular mechanisms and potential therapeutic targets of compounds in anti-inflammatory and anti-infection related treatment.

The invention discloses an extraction process method of a functional gastrodia elata wine partner and application of the functional gastrodia elata wine partner in alcoholic liver injury, and belongs to the technical field of biology. In order to improve the diversity of edible gastrodia elata products and solve the problems of long consumed time, low solubility, low leaching rate of active substances and the like of traditional gastrodia elata wine, the invention provides a new concept of gastrodia elata wine partners. Artificial intelligence and a response surface are combined, and optimal extraction process parameters are optimized and obtained as follows: the volume fraction of ethanol is 50%, the material-liquid ratio is 1: 20 g / mL, the ultrasonic time is 1.55 h, the ultrasonic temperature is 58 DEG C, and the ultrasonic power is 490 W; network pharmacology and molecular docking reveal that the gastrodia elata wine partner has a potential protection effect on alcoholic liver diseases; cell tests show that the gastrodia elata wine partner has a remarkable protection effect on HegG2 cells, and animal experiments further reveal that the gastrodia elata wine partner can effectively reduce the ethanol content of rat eye socket blood and has potential advantages in the aspects of reducing free radical damage and improving the oxidative stress state. The convenient edible product and the matching mode are expected to become beneficial supplement of the modern drinking culture, and the liver health is protected while people enjoy delicious wine.

The present invention discloses a method for screening effective substances of traditional Chinese medicine based on a 6-dimensional spider web model, belonging to the field of medical technology. Based on the results of UHPLC analysis, the present invention uses danshensu, chlorogenic acid, procyanidin B2, epicatechin, hyperoside, isoquercetin, rosmarinic acid, lithospermic acid, salvianolic acid B, salvianolic acid A, dihydrotanshinone I, tanshinone I, cryptotanshinone, tanshinone IIA, oleanolic acid, and ursolic acid as the "specific" candidate effective ingredients of the Danshen-Hawthorn medicinal pair. Based on the data of the candidate effective ingredients in six dimensions, namely, effectiveness dimension, compatibility environment dimension, transmission and traceability dimension, content measurability dimension, network pharmacology degree value dimension, and molecular docking target binding activity dimension, a "spider web" model is constructed to obtain the key effective substances of the Danshen-Hawthorn medicinal pair. The present invention provides theoretical support for revealing the compatibility theory of the Danshen-Hawthorn medicinal pair, formulating its quality evaluation standards, and clinical application of the Danshen-Hawthorn medicinal pair.

The invention discloses a network pharmacology and Mendel randomization analysis method for resisting lithangiuria by chlorogenic acid, and belongs to the technical field of biomedical engineering, and the method comprises the following steps: taking an intersection of a potential action target of chlorogenic acid and a lithangiuria target as a candidate target; performing pathway enrichment analysis and screening on each candidate target spot to determine a plurality of first pathways; for each first path, calculating a target importance score of each candidate target and performing screening according to the target importance score, and obtaining the screened candidate target as a key target; respectively performing Mendel stochastic analysis on each key target spot to obtain a causal effect estimated value of each key target spot and the urinary calculus risk, screening all the first pathways according to the causal effect estimated value, taking the screened first pathways as target pathways, and taking the key target spots in the target pathways as target targets. The method can be used for efficiently and accurately screening and determining the core regulatory pathway playing the anti-lithangiuria role and the real key target to which the core regulatory pathway belongs.

The invention belongs to the technical field of biological medicine, and particularly relates to application of LRRFIP1 serving as a bilberry extract to improvement of a target spot of insulin resistance of gestational diabetes mellitus. The insulin resistance of gestational diabetes mellitus is improved by specifically regulating and controlling a PI3K-AKT signal channel and a GLUT4 glucose transporter function in skeletal muscle based on the bilberry extract. The bilberry extract used in the invention is a natural plant source, is high in safety, and is suitable for pregnancy. PI3K-AKT signal channels can be activated at the same time, and insulin resistance and lipid metabolism disorder can be synergistically improved. The action mechanism is systematically illuminated through technical means such as proteomics, network pharmacology, molecular docking and the like. Glucose tolerance, insulin sensitivity and blood fat level of GDM rats can be remarkably improved, and no remarkable side effect exists.

The invention provides a screening method and application of external traditional Chinese medicine anti-psoriasis active ingredients, and relates to the technical field of modern research of traditional Chinese medicines. According to the screening method disclosed by the invention, components with transdermal ability and anti-psoriasis activity are systematically excavated and screened from a traditional Chinese medicine complex system through preparation of a traditional Chinese medicine transdermal sample solution, UPLC-Q-TOF-MS component identification, network pharmacological analysis, molecular docking prediction and HaCaT psoriasis cell model verification in sequence. The method solves the problems that the traditional Chinese medicine transdermal components are unclear in pharmacodynamic material basis and low in screening efficiency, and has the advantages of being high in systematicness, high in accuracy and good in pertinence. According to the method, a plurality of effective components such as dictamnine and limonin are successfully screened from the cortex dictamni, and a clear pharmacological basis is provided for research and development of the cortex dictamni externally applied anti-psoriasis medicine.

The invention discloses a traditional Chinese medicine composition for preventing and treating avian pathogenic escherichia coli as well as a preparation method and application thereof, and relates to the technical field of veterinary drugs. According to the invention, screening is carried out through subtraction genomics and reverse network pharmacology, and based on the compatibility theory of monarch, minister, assistant and guide and the traditional Chinese veterinary medicine and pharmacy differentiation theory, a traditional Chinese medicine composition, namely the radix angelicae and fructus forsythiae intestine health formula, for preventing and treating avian pathogenic escherichia coli is formed. According to the traditional Chinese medicine composition, fructus forsythiae and radix angelicae are used as monarch drugs, radix isatidis and clinopodium polycephalum are used as ministerial drugs, fructus aurantii immaturus, mint and plantain herb are used as adjuvant drugs, and liquorice is used as a conductant drug, so that the traditional Chinese medicine composition can inhibit reproduction of avian pathogenic escherichia coli, destroy formation of biological membranes of the avian pathogenic escherichia coli and relieve pathological injuries of diseased poultry caused by APEC; the traditional Chinese medicine composition has a good treatment effect on avian pathogenic escherichia coli.

The invention relates to a screening method of anti-breast cancer key targets of a traditional Chinese medicine composition for treating triple-negative breast cancer pulmonary metastasis, which sequentially comprises the following steps: component-target preliminary screening, two sample Mendel randomization, SMR and co-localization, full phenotype association and side effect evaluation, pathway enrichment, clinical expression verification, molecular docking verification and the like. After Mendel randomization (MR) and SMR are placed in network pharmacology, population genetic variation is used as a natural randomization tool, evidence of causal relationship between exposure (target level) and outcome (breast cancer risk) is provided on a public GWAS level, traditional association analysis mixing and reverse causal risk are reduced, and the false positive rate of network pharmacology prediction is greatly reduced; pheWAS-MR is introduced to perform system identification on phenotypes of various diseases, so that a potential off-target effect can be identified in advance, the multiple effects and possible adverse reactions of potential treatment targets in traditional Chinese medicine compound targets can be evaluated, powerful data support is provided for subsequent clinical test design and drug alert strategies, and the risk of later failure of research and development is effectively reduced.

The invention belongs to the technical field of traditional Chinese medicine quality marker discovery, and particularly relates to a discovery method of a dactylicapnos scandens analgesia related quality marker, which comprises the following steps: (1) constructing a dactylicapnos scandens compound library; (2) identifying chemical components in the dactylicapnos scandens extracting solution; (3) predicting analgesic related compounds and action targets of the dactylicapnos scandens by utilizing network pharmacology; (4) verifying the analgesic activity of the predicted active compound; and (5) application of the quality marker in quality evaluation of the dactylicapnos scandens medicinal material. By combining a dactylicapnos compound library with rich information, high-resolution mass spectrometry, compound action target prediction, analgesia target acquisition and compound activity verification, the analgesia related quality marker of dactylicapnos is found for the first time, deeper excavation of the analgesia action mechanism of dactylicapnos is facilitated, and the analgesia related quality marker of dactylicapnos is obtained. The analgesic effect is better applied clinically, and a scientific basis is provided for quality evaluation of the dactylicapnos scandens medicinal material.

The invention relates to the technical field of medicines, in particular to application of apigenin to improvement of hypertension vascular remodeling. The research of the invention deeply discusses the protective effect and mechanism of apigenin on vascular remodeling caused by hypertension, the effect of apigenin on improving hypertension vascular remodeling is defined, and network pharmacology and various technical means are adopted to find that TP53 is a key target of apigenin for improving hypertension vascular remodeling. And a theoretical basis is provided for finding a new therapeutic drug for preventing and treating vascular remodeling caused by hypertension.

The invention belongs to the technical field of medicinal material screening, and relates to a traditional Chinese medicine compound for treating attention deficit hyperactivity disorder and a screening method thereof. The screening method comprises the following steps: constructing a drug use database of ADHD; performing statistics and association rule analysis on frequency, property and flavor tropism and efficacy of the traditional Chinese medicines to obtain a high-frequency traditional Chinese medicine composition; screening ADHD disease targets and establishing a target set; performing clustering analysis and integration on the high-frequency traditional Chinese medicine composition to obtain a core medicine composition; constructing candidate traditional Chinese medicine compounds through reverse network pharmacological analysis; evaluating the efficacy of the candidate traditional Chinese medicine compound through animal experiments, and screening out the optimal traditional Chinese medicine compound. According to the method, an O-R-S analysis mode is constructed through data mining and reverse network pharmacology, traditional Chinese medicine compound screening and evaluation processes of ADHD and candidate compounds with better comprehensive performance are optimized, and a reference scheme with data support and mechanism basis is provided for traditional Chinese medicine clinical treatment and new drug research and development of ADHD.

The invention relates to the technical field of traditional Chinese medicine, in particular to a composition, application of the composition in preparation of medicine for treating liver cancer or / and breast cancer and a screening method. According to the invention, the composition is obtained through screening by combining the hemogenic component of the marsdenia tenacissima tablets with targeted network pharmacological research, and the composition comprises neochlorogenic acid, chlorogenic acid, cryptochlorogenic acid, marsdenia tenacissima glycoside I and marsdenia tenacissima glycoside H. Each active component in the composition corresponds to a plurality of targets, each target is connected with a plurality of active components, and the plurality of targets correspond to a plurality of pathways, so that the plurality of active components in the composition act on the liver cancer or / and the breast cancer from the plurality of targets and the plurality of pathways in a synergistic manner, and a new research direction is provided for developing medicines for treating the liver cancer or / and the breast cancer.