53 results about "Network pharmacology" patented technology

The invention discloses a network pharmacology method used for finding active ingredients of traditional Chinese medicine and effect targets thereof. The network pharmacology method comprises the steps as follows: chemical compounds and proteins that can build training sets are collected, and characteristic descriptors are calculated according to molecular structures of the chemical compounds and amino acid sequences of the proteins; the training sets are built based on the characteristic descriptors of the chemical compounds and the proteins, predictive models relative to the interaction of the chemical compounds and the proteins are built according to a machine learning method; the known chemical compound ingredients of the traditional Chinese medicine needing to be forecasted, the characteristic descriptors are calculated, and forecast sets are built; the built predictive models are utilized to forecast the forecast sets, and the chemical compounds and the proteins with the forecasted interaction results greater than a given threshold are used for building a network; and the chemical compounds and the proteins with larger network node connection number are the potential active ingredients and the potential effect targets. The network pharmacology method can improve the finding accuracy rate and finding efficiency of the active ingredients of the traditional Chinese medicine and the effect targets.

Network-based relative proximity measures according to the present invention quantify the closeness between any two sets of nodes (e.g., drug targets and disease genes in a biological network, or groups of people in a social network). The proximity takes into account the scale-free nature of real-world networks and corrects for degree-bias (i.e., due to incompleteness or study biases) by incorporating various distance definitions between the two sets of nodes and comparison of these distances to those of randomly selected nodes in the network (i.e., the distance relative to random expectation), therefore improving processing of the network data. In brief, the proximity offers a formal framework to characterize the distance between two sets of nodes in the network with key applications in various domains from network pharmacology (e.g., discovering novel uses for existing drugs) to social sciences (e.g., defining similarity between groups of individuals).

The invention belongs to the field of biomedicine, discloses a method for analyzing an anti-glandular cystitis action mechanism of pachymaran based on network pharmacology, and reports detailed targets and specific pharmacological mechanisms of pachymaran for preventing and treating glandular cystitis for the first time. The method comprises the following main points: obtaining a pachymaran pharmacological target and a glandular cystitis pathogen target through online database analysis of TCMSP, DisGeNET and the like; taking an intersection of the pachymaran and the glandular cystitis target to obtain a drug disease intersection target gene target, and constructing a related protein interaction network to screen a core target; further performing gene ontology GO biological process and KEGGpathway enrichment analysis on the core target by utilizing the R language related packet; and finally, constructing a drug target gene ontology functional pathway disease visualization diagram for deep analysis of a treatment mechanism. The method provided by the invention provides a new idea for explaining a research mechanism of pachymaran for exerting glandular cystitis resistance, and also provides an early-stage research basis for clinical application of pachymaran in glandular cystitis.

The invention provides a drug network pharmacology intelligent and quantitative analysis method and system based on a network target original theory, wherein the method and system are used for measuring the overall effect of intervening a disease biological network by drugs (including various drug types such as Chinese and western drugs). The method can integrate qualitative and/or quantitative biological information related to diseases and drugs, takes the disease biological network as a target and realizes effect measurement of drug intervention on the disease biological network from the system and overall perspective, and reveals the overall action mechanism of the drugs. The method provides a qualitative and quantitative selectable measurement mode, measures the drug intervention network effect by adopting biological function multi-scale qualitative analysis and/or time-space multi-dimensional quantitative analysis, and provides a new key technique for breaking through the limitation of a traditional experience-based or single-target-based drug research mode, understanding a drug network regulation mechanism, and quickly and intelligently discovering pharmacodynamic substances, action mechanisms, curative effect objective indexes and clinical indications and the like.

The invention discloses a traditional Chinese medicine prescription relocation method based on heterogeneous network representation learning. The method sequentially comprises the following steps: step 1, carrying out preprocessing on input data, and constructing a traditional Chinese medicine prescription heterogeneous network; step 2, according to a heterogeneous graph embedding method, learning semantic association information in the traditional Chinese medicine prescription heterogeneous network by executing a network pharmacology learning module, and acquiring embedded representations of the traditional Chinese medicine prescription and the disease; and step 3, according to the embedded representation of the traditional Chinese medicine prescription and the disease obtained in the step 2, using a deep learning recommendation algorithm to obtain an interactive influence score matrix of the two, and finally, sorting scoring matrix results to obtain a disease recommendation result of the Top@K of the traditional Chinese medicine prescription. According to the invention, the disease recommendation of the traditional Chinese medicine prescription can be obtained through intelligent calculation, manual operation is avoided, and the efficiency of traditional Chinese medicine prescription relocation is effectively improved.

The invention provides a method, a system and a device for establishing a traditional Chinese medicine action mechanism model based on network pharmacology. The method comprises the following steps: acquiring gene targets corresponding to various components of the traditional Chinese medicine; acquiring a target gene target; taking an intersection of the gene targets corresponding to the components of the traditional Chinese medicine and the target gene targets to obtain a gene set; constructing a protein interaction network for the gene set; analyzing nodes in the protein interaction networkto obtain key gene nodes; performing GO analysis and KEGG analysis on the key gene nodes for further gene screening; in the screening result, conducting molecular docking on the traditional Chinese medicine components and protein corresponding to the core gene, verifying the binding capacity, and obtaining the target traditional Chinese medicine components. According to the scheme, efficient drugcomponent analysis can be assisted, the analysis process is simplified, the complexity of an analysis algorithm is reduced, convenience and rapidness are achieved, and the accuracy is high.

The invention discloses a target screening method for coronavirus pneumonia resistance of sophora flower bud tea, and belongs to the technical field of medicines. The method comprises the following steps: screening active components and predicting a target; preparing a molecular docking ligand and a receptor; carrying out component target molecular docking to screen active components; predicting adisease target; constructing a compound-target-disease network; and carrying out key target function enrichment analysis. According to the research, a network pharmacology method and a molecular docking technology are adopted to explore active ingredients and potential targets of sophora flower buds for COVID-19, molecular docking verification is carried out, a component-target network is constructed, and the sophora flower bud tea is compared with lianhua Qingwen capsules and golden flower Qinggan particles to explore a mechanism action channel, and an idea is provided for subsequent basic experiments.

The invention discloses a method for analyzing the analgesic effect of active ingredients of nux vomica based on network pharmacology. The method comprises the following steps: S1, obtaining chemicalcomponents and component action targets of nux vomica, wherein nux vomica is used as a keyword, and retrieving is performed by utilizing a BATMAN-TCM database to obtain a nux vomica active compound meeting conditions and a targeting gene thereof; S2, identifying a disease action target, wherein a virtual target gene related to pain is acquired by using a DisGeNET database, and intersection is performed on the nux vomica active compound and the target gene thereof to obtain a drug-disease intersection target gene; S3, constructing a nux vomica and disease network, and screening a core node; andS4, performing GO enrichment and KEGG pathway annotation analysis on the core node by using the DAVID, predicting target function distribution, analyzing the enrichment degree of the core pathway according to the enrichment factor, and analyzing the nux vomica analgesic action mechanism. With the method, the problems of long nux vomica research period, lack of systematicness, single research target and the like at present are solved.

The invention discloses a traditional Chinese medicine effective chemical component composition for treating primary dysmenorrhea and application thereof, and relates to the field of natural medicine components and medicine health care. Chemical components (puerarin, daidzin, daidzein, ephedrine, pseudoephedrine, paeoniflorin, albiflorin, liquiritin and liquiritigenin) in traditional Chinese medicine compound radix puerariae decoction are screened by virtue of a modern analysis technology and network pharmacology analysis; based on the hypothesis that effect substances contained in traditional Chinese medicines should enter blood or reach target organs to achieve the treatment effect, the blood-entering components of the radix puerariae decoction are detected by applying the modern analysis technology; furthermore, main active components and action targets are screened through network pharmacology; several or more compounds with the best combined drug effect are selected for composition; and the effects of definite components, definite drug effect, measurable mechanism and controllable quality are achieved.

The invention discloses a key pathway and key target screening method based on network pharmacology, and the method comprises the steps: collecting a compound, a drug prediction target and a disease target in a drug, and obtaining alternative targets; preliminarily screening alternative pathways; constructing a corresponding PPI network by using each obtained target point of each path; calculatingto obtain the importance of the pathway key gene; constructing a PPI network of the overall target point, and counting the number of network connection edges; segmenting a sub-network formed by all the target points enriched on the ith path, and counting the number of edges; calculating the importance degree of the path under the synergistic effect of multiple paths to obtain the influence degreeof the path; carrying out deviation standardization on the pathway key gene importance degree and pathway influence degree indexes of each pathway, and taking the enriched alternative target points on the key pathway as key target points. According to the method, the attributes and the synergistic effect of the pathways are described more accurately, and pathways related to diseases and enrichedkey targets of the pathways can be screened out more efficiently and accurately.

The invention discloses a method for resisting Alzheimer's disease by using a fructus rosae laevigatae triterpenoid and relates to a method for resisting Alzheimer's disease by using a biological compound. The method comprises the following steps: obtaining pharmacological targets of fructus rosae laevigatae and pathogen targets of Alzheimer's disease through online database or website analysis, and then converting collected compounds from 2D to corresponding 3D structures by using software; carrying out molecular docking, and screening and storing compounds with good docking results; obtaining a drug-disease intersection target gene target spot, and constructing a related protein interaction network to screen a core target spot; carrying out gene ontology GO biological process and KEGG pathway enrichment analysis on the core target spot by utilizing an R language related package; constructing a drug-target-disease pathway graph for deep analysis of a treatment mechanism, and further confirming the authenticity of network pharmacology through in-vitro activity verification. The invention aims to provide a new thought for researching the Alzheimer's disease, and provides an earlier-stage research basis for clinical application of the rosa laevigata triterpenoids to the Alzheimer's disease.

The invention discloses a research method of panoxadiol, and belongs to the technical field of research of (20R)-panoxadiol, and the technical key point is that the research method comprises the research steps of (20R)-panoxadiol: step 1, excavating material basis, target spots and pathways of ginseng for resisting obesity and complications thereof through network pharmacology; 2, studying the lipid-lowering and weight-losing curative effect and mechanism of the (20R)-panoxadiol on the high-fat fed mouse; 3, researching the relationship between the inhibition of (20R)-panoxadiol on fat cell hypertrophy and the cAMP/PKA pathway through experiments; 4, (20R)-panoxadiol is used for researching the lipid-lowering and weight-losing mechanism of ob/ob obese mice by regulating and controlling a beta2/cAMP/PKA pathway; 5, observing the efficacy of (20R)-panoxadiol for preventing and treating non-alcoholic fatty liver of high-fat induced obese mice and ob/ob obese mice, and primarily probing the mechanism of the (20R)-panoxadiol; and step 6, analyzing and researching the intestinal flora and metabolites thereof to prevent and treat obesity and complications thereof through a non-absorption way by the (20R)-panoxadiol.

The invention belongs to the field of biomedicine, and relates to a method for analyzing an action mechanism of radix astragali-glossy privet fruit for treating immunodeficiency disease based on network pharmacology and molecular docking. The invention explores the action mechanism of astragalus membranaceus-glossy privet fruit for treating immunodeficiency disease (IDD) by utilizing network pharmacology and a molecular docking technology. The method comprises the following steps: comprehensively utilizing an online database to collect chemical components of astragalus membranaceus-glossy privet fruit and IDD treatment targets, and constructing a compound-target-disease and protein interaction network of astragalus membranaceus-glossy privet fruit for treating IDD; carrying out gene ontology (GO) annotation and KEGG pathway enrichment analysis of potential targets on the basis of a DAVID database and a ClueGo plug-in; and carrying out molecular docking on the active component and the potential target spot by adopting Vina software to verify the binding activity. Results show that the radix astragali-glossy privet fruit synergistically acts on different targets through multiple active components, the effect of adjuvant treatment of IDD is achieved in multiple ways, and reference can be provided for development of corresponding dietary supplements.

The invention relates to the technical field of pharmacology, in particular to a method for analyzing an action mechanism of a spleen-tonifying and kidney-nourishing prescription for treating epithelial-mesenchymal transition. The method comprises the following steps: screening active ingredients of various traditional Chinese medicines in the spleen-tonifying and kidney-nourishing formula; screening targets corresponding to the active components and epithelial-mesenchymal transition; screening a common target of the compound and epithelial-mesenchymal transition, and constructing a protein interaction network; carrying out GO biological function and KEGG pathway enrichment analysis on the common target by utilizing R software to obtain a visual result; and constructing a chemical component-target-signal channel network to obtain a core target. A chemical component-target-signal channel network is constructed to obtain a core target, a core signal channel is analyzed through network pharmacology, then the signal channel is verified through animal experiments, a comprehensive insight is provided for an action mechanism of the spleen-tonifying kidney-tonifying prescription for resisting epithelial-mesenchymal transition, and the spleen-tonifying kidney-tonifying prescription for resisting epithelial-mesenchymal transition is obtained. And a direction is provided for further researching the spleen-tonifying and kidney-tonifying formula for relieving renal fibrosis by inhibiting epithelial-mesenchymal transition.

The invention belongs to the technical field of quality detection of medicinal materials, and particularly relates to a quality detection method of asarum or asarum extract for treating migraine. The invention researches the material basis of the traditional Chinese medicinal material asarum for treating migraine through a network pharmacology method, and provides a method for detecting the quality of asarum or asarum extract by detecting the content of higenamine and cherry glycoside in asarum or asarum extract based on the material basis. By utilizing the quality detection method disclosed by the invention, the asarum extract, the asarum medicinal material or the asarum processed product with a better treatment effect on migraine can be effectively selected, and the quality detection method has a good prospect in clinical application.

The Guizhi Fuling capsule for treating primary dysmenorrhea lack objective curative effect evaluation indexes clinically. Through calculation prediction and experimental verification of network pharmacology, it is found that the Guizhi Fuling capsule capsule regulates intracellular calcium ion influx and intervenes COX2 to play an anti-inflammatory and analgesic role to relieve primary dysmenorrhea, and it is found that the Guizhi Fuling capsule intervenes endocrine hormone and microcirculation, regulates intrauterine circulation and plays a lasting effect. The invention relates to application of a combined biological marker in preparation of a product for evaluating the effect of the Guizhi Fuling capsule on treating primary dysmenorrhea, wherein the combined biological marker consists of TXB2, 6-Keto-PGF1 alpha, COX2, NO, ET-1 and intracellular calcium ions. In-vitro experiments show that the Guizhi Fuling capsule can significantly reduce the ratio of TXB2 and TXB2/6-Keto-PGF1 alpha in plasma, significantly increase NO in uterine tissues, significantly reduce the level of ET-1, and inhibit COX2 enzyme activity and calcium ion influx in uterine smooth muscle cells. Clinical tests show that the pain relieving effect of the Guizhi Fuling capsule capsule is obviously superior to that of placebo, and the capsule has an obvious lasting effect after drug withdrawal.