Method for analyzing toxic target of evodiamine based on network toxicology system
By using network toxicology systematic analysis methods, the comprehensive core toxicity targets of evodiamine were identified, solving the problem of low efficiency in the study of evodiamine toxicity targets in existing technologies, and achieving efficient target localization and drug development guidance.
Patent Information
- Application Number
- CN202511706183.3
- Authority / Receiving Office
- CN · China
- Patent Type
- Applications(China)
- Current Assignee / Owner
- Filing Date
- 2025-11-20
- Publication Date
- 2026-03-17
AI Technical Summary
In existing technologies, the study of the toxicity targets of evodiamine focuses only on a single toxic object, resulting in a large amount of complex and complicated information, making it difficult to grasp the key research objects, consuming a lot of human, material and time resources, and resulting in low research efficiency.
A network-based toxicology system analysis approach was adopted to obtain potential toxic targets of multiple toxic objects, construct a protein interaction network and score and rank them, identify the core targets of each toxic object, and identify the comprehensive core toxic targets by intersection. The protein interaction network and molecular docking analysis were combined to guide subsequent research.
It improved research efficiency, saved manpower and resources, identified key research subjects, and provided systematic data support for subsequent drug development and toxicity studies.
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Figure CN121687170A_ABST
Abstract
Description
Technical Field
[0001] This invention relates to the field of biomedicine, and in particular to a method for systematically analyzing the toxicity targets of evodiamine based on network toxicology. Background Technology
[0002] Evodiamine is an alkaloid isolated from the traditional Chinese medicine Evodia rutaecarpa. It possesses physiological activities such as anticancer, heart rate regulation, vasodilation, platelet activation inhibition, antioxidant, anti-inflammatory, and lipid-lowering effects. However, evodiamine has been reported to have certain toxicity to some organs or functional systems. Therefore, researchers need to further conduct comprehensive studies on the pharmacological properties and toxicity of evodiamine to guide the subsequent improvement and optimization of evodiamine-based drugs.
[0003] Current research on the toxicity targets of evodiamine focuses only on a single toxic target, such as its effect on the liver or the reproductive system. This means focusing on the toxicity target of a single target and listing the pathway and binding characteristics of that target. However, even after modifying the drug against the main toxic targets of a single target and conducting toxicity experiments and evaluations, the toxicity to other targets may remain unchanged or even be enhanced, even if the toxicity to one target is reduced. Therefore, researchers need to modify the drug's toxicity targets for each target and conduct toxicity experiments and evaluations. However, a drug may have numerous targets on a single target, each with different binding characteristics, and the functional role of a target may vary across different targets. Based on current methods for toxicity target research, researchers typically only collect lists of the toxicity target properties of evodiamine for each target, resulting in a vast and complex amount of information. Therefore, researchers are caught in a dilemma of not being able to grasp the key research objects. They can only improve and evaluate the toxicity of each toxic object one by one, which consumes a lot of manpower, material resources and time, and is very inefficient. Summary of the Invention
[0004] Based on this, the purpose of this invention is to provide a method for analyzing the toxicity targets of evodiamine based on network toxicology systems, overcoming the technical deficiency of existing methods for analyzing the toxicity targets of evodiamine in research, which cannot guide subsequent research to grasp the key research objects.
[0005] A method for analyzing toxicity targets of evodiamine based on network toxicology systems, characterized by comprising step SA: toxicity target locking; wherein step SA includes the following steps: Step SA1: Obtain the potential toxicity targets of evodiamine in each of at least two toxic objects; Step SA2: Identify the core toxic targets for each toxic object; Step SA3: Identify the comprehensive core toxicity target; the comprehensive core toxicity target is the core toxicity target that exists simultaneously in all toxic substances; The order of steps SA1 and SA2 is not important.
[0006] Based on the above steps, this invention not only identifies the core toxicity targets for each toxicity manifestation, but also further identifies the core toxicity targets that exist simultaneously in all toxic objects. Compared to the simple listing of existing technologies, this invention can help guide subsequent research to prioritize the study of the comprehensive core toxicity targets obtained in step SA3, followed by the study of the core toxicity targets for each toxic object obtained in step SA2, and finally focus on all potential toxicity targets in objects not identified in step SA1. The analytical guidance provided by this invention can help subsequent research improve research efficiency and save human and material resources.
[0007] In one embodiment, step SA1 includes: Step SA11: Obtain the target gene of evodiamine; Step SA12: Obtain the toxicity risk genes of at least two toxic targets of evodiamine; Step SA13: By taking the intersection of the corresponding toxicity risk gene and the evodiamine target gene for each toxic object, the potential toxicity target of evodiamine for each toxic object is identified.
[0008] In one embodiment, step SA2 includes: constructing and scoring a protein-protein interaction network of potential toxic targets for each toxic substance to identify the core toxic target of evodiamine for each toxic substance. A higher protein-protein interaction network score indicates a stronger functional association between the potential toxic target and other targets within the corresponding toxic substance, meaning a stronger influence of the toxic target. If evodiamine binds to this core toxic target, it is more likely to affect other toxic target genes, causing a more severe toxic reaction than the target substance itself.
[0009] In one embodiment, in step SA2, the potential toxic targets of each toxic object obtained in step SA13 are first input into the STRING database to construct a protein-protein interaction (PPI) network. Then, the constructed PPI network is imported into Cytoscape 3.10.3, scored and sorted using the cytohubba module, and the top ten targets are selected as the core toxic targets of the corresponding toxic objects caused by evodiamine.
[0010] In one embodiment, step SA3 includes: identifying the comprehensive core toxicity target of evodiamine by taking the intersection of the core toxicity targets of each toxic object.
[0011] In one embodiment, step SB is also included: toxicity target characterization. Besides identifying key toxicity targets, analyzing and presenting the characteristic data of each toxicity target can also serve as a reference for further research or drug development.
[0012] In one embodiment, step SB includes step SB1: analyzing the toxic enrichment pathways of each toxic substance. Toxicity pathway studies help understand which pathways evodiamine will cause toxicity once it binds to relevant toxic targets, aiding in subsequent research or drug optimization.
[0013] In one embodiment, step SB1 includes step SB11 and / or step SB12, and the order of steps SB11 and SB12 is not important; wherein, Step SB11 is: Analyze the GO functional enrichment pathways of potential toxic targets of each toxic object; Step SB12 involves analyzing the KEGG enrichment pathways of potential toxic targets for each toxic substance.
[0014] In one embodiment, the method further includes step SB2: constructing a protein interaction network of the integrated core toxicity targets. Analysis of this interaction network can reveal the interaction relationships between the integrated core toxicity targets, which can be used to further guide research on the interaction relationships / toxicity mechanisms among these integrated core toxicity targets.
[0015] In one embodiment, the method further includes step SB3: performing molecular docking analysis on evodiamine and the core comprehensive toxicity target. The binding energy data and visualization results of molecular docking can be used to assess the binding affinity and interaction mode between evodiamine and the comprehensive core toxicity target, providing molecular-level evidence for the authenticity of the core target and the toxicity regulation mechanism.
[0016] To better understand and implement this invention, the following detailed description is provided in conjunction with the accompanying drawings. Attached Figure Description
[0017] Figure 1 This is a schematic diagram of the process of the present invention.
[0018] Figure 2 This is a Venn diagram showing the intersection of toxicity risk genes of evodiamine and toxic targets as described in step SA13. A and D represent the Venn diagrams for the liver, kidney, heart, and reproductive system, respectively. Figure 3 This is a network diagram of protein-protein interactions (PPIs) in the liver of the toxic subject in step SA2.
[0019] Figure 4 This is a network diagram of protein-protein interactions (PPIs) in the kidneys of the toxic subjects in step SA2.
[0020] Figure 5 This is a network diagram of protein-protein interactions (PPIs) in the heart of the toxic subject in step SA2.
[0021] Figure 6 This is a protein-protein interaction (PPI) network diagram of potential toxic targets in the reproductive system of the toxic object in step SA2.
[0022] Figure 7 This is a protein interaction network diagram of the top 10 core toxicity targets scored using Cytoscape software in step SA2. A and D represent the protein interaction networks of the liver, kidney, heart, and reproductive system, respectively.
[0023] Figure 8 Take the intersection Venn diagram of the core toxicity targets of all toxic objects in step SA3.
[0024] Figure 9 The GO functional enrichment results are shown for potential toxic targets in the liver of the toxic subject in step SB11.
[0025] Figure 10 The GO functional enrichment results are shown for potential toxic targets in the kidneys of the toxic subjects in step SB11.
[0026] Figure 11 The GO functional enrichment results are shown for potential toxic targets of the heart in the toxic subject during step SB11.
[0027] Figure 12 The image shows the GO functional enrichment results for potential toxic targets of the reproductive system of the toxic subject in step SB11.
[0028] Figure 13 Sankey diagram for KEGG pathway enrichment of potential toxic targets in the liver of the toxic subjects in step SB12.
[0029] Figure 14 Sankey diagram of KEGG pathway enrichment for potential toxic targets in the kidneys of the toxic subjects in step SB12.
[0030] Figure 15 Sankey diagram of KEGG pathway enrichment for potential toxic targets in the heart of the toxic subject in step SB12.
[0031] Figure 16 The KEGG pathway enrichment Sankey diagram for potential toxic targets in the reproductive system of the toxic subjects in step SB12.
[0032] Figure 17 This is a diagram showing the protein interaction network results for the integrated core toxicity targets in step SB2.
[0033] Figure 18 This is a visualization of the molecular docking results between evodiamine and the comprehensive core toxicity targets in step SB3. A and G represent the visualization results of the molecular docking between evodiamine and PARP1, CDK2, SRC, Hsp90, STAT3, CCND1, and PTGS2, respectively. Detailed Implementation
[0034] Since evodiamine has numerous potential toxic targets across various toxic substances, identifying key research targets requires first determining the most influential toxic targets across all toxic substances, and then identifying toxic targets with significant influence across all toxic substances. To this end, this invention provides... Figure 1 The analytical workflow shown first identifies toxic targets that have a strong influence on various toxic substances, and then presents the characteristic analysis of each toxic target, providing guidance for subsequent drug development, improvement and toxicity studies.
[0035] The following is in conjunction with the appendix Figure 1-18 The present invention will be described in detail.
[0036] Step SA: Toxicity target identification. This includes steps SA1-SA3.
[0037] Step SA1: Obtain the potential toxicity targets of evodiamine in each of at least two toxic objects; Step SA2: Identify the core toxic targets of evodiamine for each toxic substance; Step SA3: Identify the comprehensive core toxicity target. The comprehensive core toxicity target is the core toxicity target that exists simultaneously in all toxic substances.
[0038] The following is a detailed explanation of each step.
[0039] Step SA1: Obtain potential toxic targets for each of at least two toxic objects. This includes steps SA11, SA12, and SA13.
[0040] Step SA11: Obtain the target gene of evodiamine.
[0041] The common English name of evodiamine, Evodiamine, was retrieved from the PubChem database (https: / / pubchem.ncbi.nlm.nih.gov / ) to obtain SMILES names. These were then predicted using the SwissTargetPrediction database, filtering for genes with a probability greater than 0. Simultaneously, Evodiamine was searched in the TCMSP database (https: / / tcmsp-e.com / load_intro.php?id=33). The relevant target sites in the "related targets" section were copied to the UniProt database (https: / / www.uniprot.org / ) to obtain the related gene names. These collected genes are the target genes of evodiamine, which can target and bind to the products of these genes. In this step, a total of 119 evodiamine-related target genes were obtained.
[0042] Step SA12: Obtain the toxicity risk genes of at least two toxic targets of evodiamine.
[0043] All toxicity risk genes were obtained from the Genecards database (https: / / www.genecards.org / ), the OMIM database (https: / / www.omim.org / ), and the CTD database (https: / / ctdbase.org / ). This embodiment analyzes four toxicity targets—liver, kidney, heart, and reproductive system. Accordingly, risk gene names for the corresponding toxicity targets were retrieved using the keywords: liver injury and liver toxicity; kidney injury and kidney toxicity; heart injury and heart toxicity; and reproductive injury and reproductive toxicity. Search results for different keywords within each toxicity target were then merged and deduplicated. This step yielded 3171 liver toxicity risk genes, 4263 kidney toxicity risk genes, 4123 heart toxicity risk genes, and 4214 reproductive toxicity risk genes.
[0044] The order of steps SA11 and SA12 above is not important.
[0045] Step SA13: By taking the intersection of the corresponding toxicity risk gene and the evodiamine target gene for each toxic object, the potential toxicity target of evodiamine for each toxic object is identified.
[0046] Using the online bioinformatics tool (https: / / www.bioinformatics.com.cn / ), we plotted a Venn diagram of the toxicity risk genes and SA1 evodiamine target genes for each toxicity target obtained by SA2. The common genes obtained by taking the intersection of the two diagrams are the potential toxicity targets caused by evodiamine.
[0047] The results of this embodiment are as follows: Figure 2 As shown, the potential toxicity targets were obtained as follows: 56 for hepatotoxicity, 72 for nephrotoxicity, 76 for cardiotoxicity, and 67 for reproductive toxicity.
[0048] Step SA2: By constructing and scoring the protein-protein interaction network (PPI network) of potential toxic targets for each toxic object, the core toxic targets of evodiamine for each toxic object are identified.
[0049] The potential toxic targets of each toxic object obtained in step SA13 were input into the STRING database (https: / / cn.string-db.org / ) for retrieval. The species was set to "Homo sapiens", and the minimum interaction threshold was set to 0.4. A protein-protein interaction (PPI) network was constructed, as shown in the figure. Figure 3-6 As shown.
[0050] Then, the constructed PPI network was imported into Cytoscape 3.10.3, and the cytohubba module was used to score and rank the targets. The top ten targets were selected as the core toxicity targets for the corresponding toxic substances caused by evodiamine. The 10 core toxicity targets for each toxic substance are as follows: Figure 7 As shown.
[0051] In this step, a PPI network is constructed to demonstrate the interactions of potential toxic targets within a specific toxic substance. Then, using Cytoscape scoring and ranking, the 10 potential toxic targets that interact most frequently with other potential toxic targets within each toxic substance can be selected as the core toxic targets for that substance. The most interactions mean that these core toxic targets have the strongest functional associations with other potential targets, indicating a stronger toxic target influence. If evodiamine binds to this core toxic target, it is more likely to affect other toxic target genes, causing a more severe toxic reaction than the original toxic substance.
[0052] Step SA3: By taking the intersection of the core toxicity targets of each toxic substance, the comprehensive core toxicity target of evodiamine is identified.
[0053] The ten core targets of evodiamine obtained in step SA2, representing hepatotoxicity, nephrotoxicity, cardiotoxicity, and reproductive toxicity, were input into the MicroBioinformatics online tool to generate a Venn diagram, as follows: Figure 8 As shown, the intersection genes of the core toxicity targets of the four toxic objects were obtained, that is, the toxicity targets of evodiamine that are present in all four toxic objects. This invention refers to them as the comprehensive core toxicity targets of evodiamine.
[0054] like Figure 4 As shown, there are a total of 7 intersection genes in this embodiment, and the specific gene names are STAT3, CDK2, HSP90AB1, PARP1, SRC, CCND1, and PTGS2.
[0055] The comprehensive core toxicity targets identified in this step through intersection analysis are those targets among the four toxic substances in this embodiment that have high functional correlation with other toxicity targets. If evodiamine binds to these seven comprehensive core toxicity targets, it is highly likely to cause severe toxic reactions in all four toxic substances simultaneously. Therefore, it should be given priority and focus in subsequent toxicity studies.
[0056] The SA (Self-Assessment) step of this invention gradually narrows the scope from identifying the potential toxicity targets of evodiamine in individual toxic substances—first narrowing it down to the core targets within each toxic substance, and then further narrowing it down to the comprehensive core toxicity targets that have strong functional correlations within each toxic substance. This analytical process can guide subsequent research to focus on key research targets—primarily focusing on comprehensive core toxicity targets; secondly, if there are special requirements or remaining capacity, the core toxicity targets of each toxic substance can be studied to understand their toxicity in specific toxic substances; thirdly, the potential toxicity targets of each toxic substance can also be used as a reference, effectively overcoming the technical deficiency of existing methods for analyzing the toxicity targets of evodiamine in research, which cannot guide subsequent research to focus on key research targets.
[0057] Furthermore, this invention further analyzes each toxicity target obtained in the SA step, demonstrating the characteristics of each toxicity target to facilitate further toxicity studies. For details, please refer to the SB step below.
[0058] Step SB: Toxicity target characterization. This includes one or more of the following steps SB1, SB2, and SB3, in any order.
[0059] Step SB1: Analyze the toxic enrichment pathways of each toxic substance. This includes one or both of steps SB11 and SB12, in no particular order.
[0060] Step SB11: Analyze the GO functional enrichment pathways of potential toxic targets for each toxic substance.
[0061] The potential toxicity targets of each toxicant obtained in step SA13 (56 hepatotoxicity, 72 nephrotoxicity, 76 cardiotoxicity, and 67 reproductive toxicity) were analyzed using the David Biodatabase (https: / / davidbioinformatics.nih.gov / ortholog.jsp) to obtain three parts: biological process (BP), cellular component (CC), and molecular function (MF). The results showed that the interleaved genes between evodiamine and hepatotoxicity were enriched in 158 biological process pathways, 47 cellular component expression processes, and 53 molecular function-related processes. Similarly, the interleaved genes between evodiamine and nephrotoxicity were enriched in 202 biological process pathways, 53 cellular component expression processes, and 82 molecular function-related processes. Evodiamine-cardiotoxicity interleaved genes were co-enriched in 236 biological process pathways, co-enriched in 54 cellular component expression processes, and co-enriched in 82 molecularly functionally related processes. Evodiamine-reproductive toxicity interleaved genes were co-enriched in 199 biological process pathways, co-enriched in 51 cellular component expression processes, and co-enriched in 57 molecularly functionally related processes. The main biological process pathways involved are cellular response to heat, response to xenobiotic stimulation, response to hypoxia, and cellular response to lipopolysaccharide. The main cellular component expression processes involved the cytoplasm, synapse, postsynaptic membrane, and caveolae. The molecular functional processes are mainly related to protein kinase binding, regulation of kinase activity, and protein homodimerization activity. Using -logFDR as the enrichment score to represent the significance of enrichment, the top ten major toxicity enrichment pathways in each segment were selected and histograms were plotted using online tools from MicroBio. Figure 9-12 As shown, the situation of GO enrichment pathways can be displayed more intuitively.
[0062] SB12: Analyze the KEGG enrichment pathway of potential toxic targets for each toxic substance.
[0063] The potential toxic targets of each toxic substance obtained in step SA13 (56 hepatotoxicity targets, 72 nephrotoxicity targets, 76 cardiotoxicity targets, and 67 reproductive toxicity targets) were subjected to KEGG enrichment analysis using the David database, resulting in 66 pathways for evodiamine-hepatotoxicity, 83 pathways for evodiamine-nephrotoxicity, 84 pathways for evodiamine-cardiotoxicity, and 1 pathway for evodiamine-reproductive toxicity. The top 10 pathways by p-value were selected and KEGG enrichment maps were generated using the MicroBioinformatics online tool, as shown below. Figure 13-17 As shown, -logPvalue represents the significance of enrichment; the redder the color, the higher the significance. The size of the bubble represents the number of genes enriched in that pathway; the larger the bubble, the more genes are enriched. According to... Figure 13-17 The main pathways through which evodiamine causes hepatotoxicity are arachidonic acid metabolism, bile secretion, serotonergic synapses, and lipid and atherosclerosis. The main pathways through which evodiamine causes nephrotoxicity are renin secretion, arachidonic acid metabolism, the oxytocin signaling pathway, and serotonergic synapses. The main pathways through which evodiamine causes cardiotoxicity are regulation of lipolysis in adipocytes, renin secretion, platelet activation, and serotonergic synapses. The main pathways through which evodiamine causes reproductive toxicity are renin secretion, serotonergic synapses, and the cAMP signaling pathway.
[0064] The main toxicity enrichment pathways of evodiamine for various toxic targets can be obtained through the above-mentioned GO enrichment and / or KEGG enrichment methods. This can guide subsequent studies to focus more on the toxicity of this pathway, or guide the study of subsequent toxicity mechanisms, or suggest the optimization of evodiamine-related drugs targeting these main toxicity enrichment pathways.
[0065] Step SB2: Construct a protein interaction network that integrates core toxicity targets.
[0066] The genes of the comprehensive core qualitative target obtained in step SA3 were input into the STRING database for retrieval. The species was set as "Homo sapiens", and the minimum interaction threshold was set to 0.4. A protein-protein interaction PPI network was constructed, such as... Figure 8 This is the protein-protein interaction network of the comprehensive core toxicity targets. Analysis of this interaction network can reveal the interaction relationships between these comprehensive core toxicity targets, which can be used to further guide research on the interaction relationships / toxicity mechanisms among these comprehensive core toxicity targets.
[0067] Step SB3: Perform molecular docking analysis on evodiamine and the core comprehensive toxicity target.
[0068] The three-dimensional structure of evodiamine was drawn using ChemDraw 3D, and the resulting mol2 file is the docking ligand. The seven core toxicities of evodiamine obtained in step SA3 were input into the PDB database (https: / / www.rcsb.org / ) to retrieve the corresponding protein structure PDB files. These files were then dehydrated and hydrogenated using Discovery Studio 19.1.0 software, leaving single strands, and a CHARMm force field was added to create the docking protein. The docking procedure between evodiamine and each core target was performed using the CDOCKER docking module, yielding binding energy data as shown in Table 1 below. The docking results were visualized using PyMOL. Figure 9 As shown.
[0069] Table 1. Molecular docking binding energy data
[0070] The binding energy data and visualization results of molecular docking can be used to assess the binding affinity and interaction mode between evodiamine and the comprehensive core toxicity targets, providing molecular-level evidence for the authenticity of the core targets and the toxicity regulation mechanism. Furthermore, the binding energy data of molecular docking can also be used to rank the screened comprehensive core toxicity targets, serving as a reference for experimental priority.
[0071] The SB step of this invention analyzes and demonstrates the characteristics of various toxic targets obtained in the SA step, providing systematic data for subsequent toxicity studies and drug improvement and development.
[0072] The terminology used in the embodiments of this application is for the purpose of describing particular embodiments only and is not intended to limit the embodiments of this application. The singular forms “a,” “the,” and “the” used in the embodiments and claims of this application are also intended to include the plural forms, unless the context clearly indicates otherwise. It should also be understood that, unless otherwise stated, “a plurality” means two or more; the terms “first,” “second,” “third,” etc., are used only to distinguish and not to describe a particular order or sequence, nor should they be construed as indicating or implying relative importance. The term “and / or” as used herein refers to and includes any or all possible combinations of one or more associated listed items. When the above description relates to drawings, unless otherwise indicated, the same numbers in different drawings represent the same or similar elements. In the description of this application, those skilled in the art can understand the specific meaning of the above terms in this application according to the specific circumstances.
[0073] The embodiments described above are merely examples of several implementations of the present invention, and while the descriptions are relatively specific and detailed, they should not be construed as limiting the scope of the invention. It should be noted that those skilled in the art can make various modifications and improvements without departing from the concept of the present invention, and these modifications and improvements all fall within the scope of protection of the present invention.
Claims
1. A method for analyzing the toxicity target of evodiamine based on network toxicology system, characterized in that, The method comprises the following steps of: SA, toxicity target locking; The step SA comprises the following steps of: SA1, obtaining potential toxicity targets of evodiamine in each of at least two toxicity objects; SA2, locking core toxicity targets of each of the toxicity objects; SA3, locking a comprehensive core toxicity target; the comprehensive core toxicity target is a core toxicity target existing in all the toxicity objects at the same time; The sequence of the step SA1 and the step SA2 is not limited.
2. The method of claim 1, wherein, The step SA1 comprises the following steps of: SA11, obtaining evodiamine target genes; SA12, obtaining toxicity risk genes of at least two toxicity objects of evodiamine; SA13, locking potential toxicity targets of evodiamine in each of the toxicity objects by respectively taking intersections of the corresponding toxicity risk genes and the evodiamine target genes of each of the toxicity objects.
3. The method of claim 2, wherein, The step SA2 comprises the following steps of: locking core toxicity targets of evodiamine in each of the toxicity objects by constructing a protein interaction network of the potential toxicity targets of each of the toxicity objects and scoring and ranking.
4. The method of claim 3, wherein, In the step SA2, the potential toxicity targets of each of the toxicity objects obtained in the step SA13 are respectively input into a STRING database to construct a PPI network of protein interaction, and the constructed PPI network is imported into Cytoscape 3.10.3, scoring and ranking are performed by using a cytohubba module, and the top ten targets in the scoring and ranking are selected as the core toxicity targets of evodiamine leading to the corresponding toxicity objects.
5. The method of claim 4, wherein, The step SA3 comprises the following steps of: locking a comprehensive core toxicity target of evodiamine by taking intersections of the core toxicity targets of each of the toxicity objects.
6. The method of claim 5, wherein, The comprehensive core toxicity target comprises STAT3, CDK2, HSP90AB1, PARP1, SRC, CCND1 and PTGS2.
7. The method of claim 6, wherein, The method further comprises the following step of SB, toxicity target property analysis.
8. The method of claim 7, wherein, The step SB comprises the following step SB1 of analyzing toxicity enrichment pathways of each of the toxicity objects; the step SB1 comprises the following steps of SB11 and / or SB12, and the sequence of the steps SB11 and SB12 is not limited; wherein, The step SB11 is to analyze GO function enrichment pathways of the potential toxicity targets of each of the toxicity objects; The step SB12 is to analyze KEGG enrichment pathways of the potential toxicity targets of each of the toxicity objects.
9. The method of claim 6, wherein, The method further comprises the following step of SB2 of constructing a protein interaction network of the comprehensive core toxicity target.
10. The method of claim 6, wherein, The method further comprises the following step of SB3 of performing molecular docking analysis on evodiamine and the core comprehensive toxicity target.