Effects and Components of Herb Pair Huanglian-Banxia on Diabetic Gastroparesis by Network Pharmacology

Diabetic gastroparesis (DGP) is a serious and chronic complication of long-standing diabetes mellitus, which brings a heavy burden to individuals and society. Traditional Chinese medicine (TCM) is considered a complementary and alternative therapy for DGP patients. Huanglian (Coptidis Rhizoma, HL) and Banxia (Pinelliae Rhizoma, BX) combined as herb pair have been frequently used in TCM prescriptions, which can effectively treat DGP in China. In this article, a practical application of TCM network pharmacological approach was used for the research on herb pair HL-BX in the treatment of DGP. Firstly, twenty-seven potential active components of HL-BX were screened from the TCMSP database, and their potential targets were also retrieved. Then, the compound-target network and PPI network were constructed from predicted common targets, and several key targets were found based on the degree of the network. Next, GO and KEGG enrichment analyses were conducted to obtain several significantly enriched terms. Finally, the experimental verification was made. The results demonstrated that network pharmacological approach was a powerful means for identifying bioactive ingredients and mechanisms of action for TCM. Network pharmacology provided an effective strategy for TCM modern research.

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Network Pharmacology Identifies the Mechanisms of Action of Tongxie Anchang Decoction in the Treatment of Irritable Bowel Syndrome with Diarrhea Predominant

Evidence-based Complementary and Alternative Medicine ◽

10.1155/2020/2723705 ◽

2020 ◽

Vol 2020 ◽

pp. 1-10

Author(s):

Xiang Tan ◽

Wenjing Pei ◽

Chune Xie ◽

Zhibin Wang ◽

Tangyou Mao ◽

...

Keyword(s):

Irritable Bowel Syndrome ◽

Target Genes ◽

Alternative Therapy ◽

Enrichment Analysis ◽

Network Pharmacology ◽

Active Compounds ◽

Complementary And Alternative Therapy ◽

Pharmacological Mechanism ◽

Target Network ◽

Irritable Bowel

Aim. This study aims to uncover the pharmacological mechanism of Tongxie Anchang Decoction (TXACD), a new and effective traditional Chinese medicine (TCM) prescription, for treating irritable bowel syndrome with diarrhea predominant (IBS-D) using network pharmacology. Methods. The active compounds and putative targets of TXACD were retrieved from TCMSP database and published literature; related target genes of IBS-D were retrieved from GeneCards; PPI network of the common target hub gene was constructed by STRING. Furthermore, these hub genes were analyzed using gene ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis. Results. A total of 54 active compounds and 639 targets were identified through a database search. The compound-target network was constructed, and the key compounds were screened out according to the degree. By using the PPI and GO and KEGG enrichment analyses, the pharmacological mechanism network of TXACD in the treatment of IBS-D was constructed. Conclusions. This study revealed the possible mechanisms by which TXACD treatment alleviated IBS-D involvement in the modulation of multiple targets and multiple pathways, including the immune regulation, inflammatory response, and oxidative stress. These findings provide novel insights into the regulatory role of TXACD in the prevention and treatment of IBS-D and hold promise for herb-based complementary and alternative therapy.

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Network Pharmacology-Based Antioxidant Effect Study of Zhi-Zi-Da-Huang Decoction for Alcoholic Liver Disease

Evidence-based Complementary and Alternative Medicine ◽

10.1155/2015/492470 ◽

2015 ◽

Vol 2015 ◽

pp. 1-6 ◽

Cited By ~ 11

Author(s):

Li An ◽

Fang Feng

Keyword(s):

Liver Disease ◽

Xanthine Oxidase ◽

Alcoholic Liver Disease ◽

Effect Study ◽

Network Pharmacology ◽

Target Network ◽

Bioactive Ingredients ◽

Stress Damage ◽

Oxide Synthase ◽

Inducible Nitric Oxide

Zhi-Zi-Da-Huang decoction (ZZDHD), a classic traditional Chinese medicine (TCM) formula, has been used for centuries to treat alcoholic liver disease. Reliable therapeutics of ZZDHD has also been validated in clinical practice. In this study, molecular docking and network analysis were carried out to explore the antioxidative mechanism of ZZDHD as an effective therapeutic approach to treat alcoholic liver disease. Multiple active compounds of ZZDHD were screened based on four key original enzymes (cytochrome P450 2E1, xanthine oxidase, inducible nitric oxide synthase, and cyclooxygenase-2) involved in ethanol-induced oxidative stress damage. A drug-target network was constructed through network pharmacology analysis, which predicted the relationships of active ingredients to the targets. Some results had been verified by the previous experimental pharmacological studies; meanwhile, it was first reported that xanthine oxidase and eriocitrin, neoeriocitrin, isorhoifolin, and poncirin had interactions. The network pharmacology strategy used provided a forceful tool for searching the mechanism of action of TCM formula and novel bioactive ingredients.

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Anticancer Activities of Ginsenosides, the Main Active Components of Ginseng

Evidence-based Complementary and Alternative Medicine ◽

10.1155/2021/8858006 ◽

2021 ◽

Vol 2021 ◽

pp. 1-10

Author(s):

Heeok Hong ◽

Delgerzul Baatar ◽

Seong Gu Hwang

Keyword(s):

Therapeutic Potential ◽

Alternative Therapy ◽

Modern Medicine ◽

Cancer Therapies ◽

Active Components ◽

Anticancer Activities ◽

Complementary And Alternative Therapy ◽

Invasion And Migration ◽

And Migration ◽

The Many

Cancer incidence rate has been increasing drastically in recent years. One of the many cancer treatment methods is chemotherapy. Traditional medicine, in the form of complementary and alternative therapy, is actively used to treat cancer, and many herbs and active ingredients of such therapies are being intensely studied to integrate them into modern medicine. Ginseng is traditionally used as a nourishing tonic and for treating various diseases in Asian countries. The therapeutic potential of ginseng in modern medicine has been studied extensively; the main bioactive component of ginseng is ginsenosides, which have gathered attention, particularly for their prospects in the treatment of fatal diseases such as cancer. Ginsenosides displayed their anticancer and antimetastatic properties not only via restricting cancer cell proliferation, viability, invasion, and migration but also by promoting apoptosis, cell cycle arrest, and autophagy in several cancers, such as breast, brain, liver, gastric, and lung cancer. Additionally, ginsenosides can work synergistically with already existing cancer therapies. Thus, ginsenosides may be used alone or in combination with other pharmaceutical agents in new therapeutic strategies for cancer. To date however, there is little systematic summary available for the anticancer effects and therapeutic potential of ginsenosides. Therefore, we have reviewed and discussed all available literature in order to facilitate further research of ginsenosides in this manuscript.

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Study of the Mechanism of the Reyanning Mixture Involved in Treating Novel Coronavirus Pneumonia Based on Network Pharmacology

Natural Product Communications ◽

10.1177/1934578x20954593 ◽

2020 ◽

Vol 15 (9) ◽

pp. 1934578X2095459

Author(s):

Anping Yang ◽

Hui Liu ◽

Fang Liu ◽

Lixia Fan ◽

Wanqin Liao ◽

...

Keyword(s):

Interaction Network ◽

Clinical Results ◽

Network Pharmacology ◽

Peroxisome Proliferator ◽

Peroxisome Proliferator Activated Receptor ◽

Inflammatory Reactions ◽

Kegg Pathways ◽

Target Network ◽

Bioactive Ingredients ◽

Novel Coronavirus

At present, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has spread all over the world, and the best way to effectively carry out drug diagnosis and treatment presents difficulties for all medical staff. In China, some traditional Chinese medicines (TCMs) have been successfully applied to the treatment of SARS-CoV-2 and have achieved good clinical results, including the Reyanning mixture. In this study, we systematically analyzed the mechanism of the Reyanning mixture and its effects against SARS-CoV-2 based on the method of network pharmacology. Here, we used the TCM Systems Pharmacology database and employed a similarity algorithm to screen and identify the bioactive ingredients and potential targets of the Reyanning mixture. The GeneCards database was used to predict and screen the disease targets and build the active ingredient target network diagram. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were performed to construct the target signal pathway associations. The STRING tool was used to reconstruct the protein-protein interaction network. As a result, 27 candidate targets, such as tumor necrosis factor, interferon gamma, tumor protein P53, C-reactive protein, and peroxisome proliferator-activated receptor gamma, were identified among the 33 bioactive ingredients of the 4 TCMs in the Reyanning mixture with effects on treating SARS-CoV-2. These targets were significantly enriched in 20 KEGG pathways and associated with 48 diverse GO terms. All of these targets may play a role in inhibiting inflammatory reactions, regulating immune function, and reducing lung injury to achieve the purpose of treating SARS-CoV-2.

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Network Pharmacology and Molecular Docking Analysis on Molecular Targets and Mechanisms of Buyang Huanwu Decoction in the Treatment of Ischemic Stroke

Evidence-based Complementary and Alternative Medicine ◽

10.1155/2021/8815447 ◽

2021 ◽

Vol 2021 ◽

pp. 1-15

Author(s):

Qiang Gao ◽

Danfeng Tian ◽

Zhenyun Han ◽

Jingfeng Lin ◽

Ze Chang ◽

...

Keyword(s):

Ischemic Stroke ◽

Molecular Docking ◽

Enrichment Analysis ◽

Network Pharmacology ◽

Ppi Network ◽

Active Components ◽

Nf Kappa B ◽

Buyang Huanwu Decoction ◽

Pathway Network ◽

Target Network

Background and Objective. With the exact clinical efficacy, Buyang Huanwu decoction (BHD) is a classical prescription for the treatment of ischemic stroke (IS). Here, we aimed to investigate the pharmacological mechanisms of BHD in treating IS using systems biology approaches. Methods. The bioactive components and potential targets of BHD were screened by TCMSP, BATMAN-TCM, ETCM, and SymMap databases. Besides, compounds that failed to find the targets from the above databases were predicted through STITCH, SwissTargetPrediction, and SEA. Moreover, six databases were searched to mine targets of IS. The intersection targets were obtained and analyzed by GO and KEGG enrichment. Furthermore, BHD-IS PPI network, compound-target network, and herb-target-pathway network were constructed by Cytoscape 3.6.0. Finally, AutoDock was used for molecular docking verification. Results. A total of 235 putative targets were obtained from 59 active compounds in BHD. Among them, 62 targets were related to IS. PPI network showed that the top ten key targets were IL6, TNF, VEGFA, AKT1, etc. The enrichment analysis demonstrated candidate BHD targets were more frequently involved in TNF, PI3K-Akt, and NF-kappa B signaling pathway. Network topology analysis showed that Radix Astragali was the main herb in BHD, and the key components were quercetin, beta-sitosterol, kaempferol, stigmasterol, etc. The results of molecular docking showed the active components in BHD had a good binding ability with the key targets. Conclusions. Our study demonstrated that BHD exerted the effect of treating IS by regulating multitargets and multichannels with multicomponents through the method of network pharmacology and molecular docking.

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Based on network pharmacology and molecular docking to explore the Traditional Chinese Medicine anti-influenza mechanisms:Chinese protocol for diagnosis and treatment of influenza.

10.22541/au.160569193.31397815/v1 ◽

2020 ◽

Author(s):

yifei Chen

Keyword(s):

Molecular Docking ◽

Influenza A ◽

Influenza Infection ◽

Diagnosis And Treatment ◽

Network Pharmacology ◽

Ppi Network ◽

Active Components ◽

Pharmacological Mechanism ◽

Severe Influenza ◽

Target Network

Background Explore the possible mechanism of anti-influenza virus, based on the study of the active components-drug-target network, Protein-Protein Interaction (PPI) network and molecular docking verification, we explored the potential action mechanism of TCM in Chinese protocol for diagnosis and treatment of influenza 2019. Methods Screening the active components and potential targets of 12 drugs in the scheme by using TCMSP database, and Obtaining the target of influenza by GeneCard, Durgbank, OMIM, TTD and PharmGkb databases. Then, constructed the “component-durg-target” network and PPI network were by Cytoscape3.8.0 software. Morethan, analyzed and the biological function and pathway, verified the molecular docking by AutoDock Vina software. Results The 12 drugs in the recommended scheme (XBCQ) for severe influenza contain 192 active components and involve 31 key antiviral targets, which may play an antiviral role through biological processes such as lipopolysaccharide, pathogen molecular reaction and regulate signaling pathway via the IL-17, influenza A, TNF, Toll-like receptors. Conclusion TCM play critical therapeutic roles through “multi-components, multi-targets and multi-pathways” mechanisms in influenza infection. The antiviral pharmacological mechanism of Xuanbai Chengqi decoction, which was analyzed by network pharmacology and molecular docking, provide a new idea for further exploring the diagnosis and treatment of severe influenza.

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Exploring the Antitumor Mechanisms of Zingiberis Rhizoma Combined with Coptidis Rhizoma Using a Network Pharmacology Approach

BioMed Research International ◽

10.1155/2020/8887982 ◽

2020 ◽

Vol 2020 ◽

pp. 1-18

Author(s):

Meng Wang ◽

Youke Qi ◽

Yongning Sun

Keyword(s):

Gene Expression ◽

Molecular Docking ◽

Protein Interactions ◽

Disease Free Survival ◽

Network Pharmacology ◽

Protein Protein Interactions ◽

Active Components ◽

Antitumor Effects ◽

Coptidis Rhizoma ◽

Underlying Mechanisms

Background. Although the combination of Zingiberis rhizoma (ZR) and Coptidis rhizoma (CR) is a classic traditional Chinese medicine-based herbal pair used for its antitumor effect, the material basis and underlying mechanisms are unclear. Here, a network pharmacology approach was used to elucidate the antitumor mechanisms of ZR-CR. Materials and Methods. To predict the targets of ZR-CR in treating tumors, we constructed protein–protein interactions and hub component-target networks and performed pathway and process enrichment and molecular docking analysis. We used a surface plasmon resonance (SPR) assay to validate the predicted component-target affinities. Hub gene expression and survival analysis in patients with tumors were used to predict the clinical significance. Results. The active components of ZR-CR—shogaol, daucosterol, ginkgetin, berberine, quercetin, chlorogenic acid, and vanillic acid—exhibited antitumor activities via the MAPK, PI3K-AKT, TNF, FOXO, HIF-1, and VEGF signaling pathways. Molecular docking and SPR analyses suggested direct binding of berberine with AKT1 and TP53; quercetin with EGFR and VEGF165; and ginkgetin, isoginkgetin, and daucosterol with VEGF165 with weak affinities. Gene expression levels of the hub targets of ZR-CR were associated with overall survival and disease-free survival in patients with various tumor types. Conclusions. The antitumor components of the ZR-CR herbal pair and the mechanisms underlying their antitumor effects were identified. These antitumor components deserve to be explored further in experimental and clinical studies.

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A network pharmacology approach to explore Dahuang on colon cancer

E3S Web of Conferences ◽

10.1051/e3sconf/202129203066 ◽

2021 ◽

Vol 292 ◽

pp. 03066

Author(s):

Mai Wang ◽

Yinyue Wang ◽

Shu Wang

Keyword(s):

Colon Cancer ◽

Enrichment Analysis ◽

Network Pharmacology ◽

Pathway Enrichment Analysis ◽

Active Components ◽

Pathway Enrichment ◽

Target Network ◽

Pharmacological Method ◽

Peptide Secretion ◽

Multicellular Organisms

To investigate the mechanism of action of Rhubarb (Dahuang) in the treatment of colon cancer by network pharmacological method. TCMSP database was used to screen the active components and action targets of Rhubarb, Genecards database was used to screen the relevant action targets of colon cancer, Venny 2.1.0 software was used to make the intersection of Rhubarb and colon cancer, and the potential targets of Rhubarb for the treatment of colon cancer were obtained.Cytoscape 3.7.2 software and the STRING database were used to construct the component-target network of Rhubarb active components and colon cancer related targets. The important targets were obtained by analyzing the network, and the GO and KEGG pathway enrichment analysis was performed on them using Metascape database. Sixty active ingredients including EUPATIN, Mutatochrome, Physciondiglucoside, Procyanidin B-5,3’ -o-gallate, rhin were screened from Rhubarb, which could act on 61 colon cancer related targets.Among them, 13 targets, including PTGS2, IL1B and Bax, are important targets, which may be involved in various biological processes such as the response to the regulation of colon cancer nutritional level, the homeostasis of multicellular organisms and the regulation of peptide secretion through the regulation of PI3K and other pathways. Rhubarb can participate in the treatment of colon cancer through multi-target and multi-pathway.

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An Integrative Pharmacology-Based Approach for Evaluating the Potential Effects of Purslane Seed in Diabetes Mellitus Treatment Using UHPLC-LTQ-Orbitrap and TCMIP V2.0

Frontiers in Pharmacology ◽

10.3389/fphar.2020.593693 ◽

2021 ◽

Vol 11 ◽

Author(s):

Jinli Hou ◽

Xiang Zhou ◽

Ping Wang ◽

Chunhui Zhao ◽

Yuewen Qin ◽

...

Keyword(s):

Diabetes Mellitus ◽

Molecular Mechanisms ◽

Ion Trap ◽

Fasting Blood Glucose ◽

Alternative Therapy ◽

Experimental Studies ◽

Active Components ◽

Target Network ◽

Purslane Seed ◽

Diabetes Mellitus Treatment

Portulaca oleracea L., known as the “vegetable for long life,” is an annual succulent herb that is widely distributed worldwide. Many clinical and experimental studies have demonstrated that purslane seed (MCXZ) can be used as an adjunctive and alternative therapy for the treatment of diabetes mellitus (DM). However, the underlying active constituents and pharmacological mechanisms through which MCXZ exerts effects in DM remain unclear. In the present study, we confirmed that MCXZ treatment resulted in hypoglycemic activity, lowering the fasting blood glucose and glycated hemoglobin levels in streptozotocin-induced diabetic mice. Then, ultra-high-pressure liquid chromatography coupled with linear ion trap-Orbitrap tandem mass spectrometry was used to systematically analyze the chemical profile of MCXZ, resulting in the identification of 84 constituents, including 31 organic acids and nine flavonoids. Finally, the Integrative Pharmacology-based Research Platform of Traditional Chinese Medicine was employed to analyze the key active components of MCXZ and the molecular mechanisms through which these components acted in DM. Ten key active compounds were identified based on the topological importance of their corresponding putative targets within the known DM-associated therapeutic target network of known MCXZ putative targets. Functionally, these candidate targets play critical anti-hyperlipidemia, anti-hyperglycemia, immunity regulation, and inflammatory roles involving DM-related pathways, such as the vascular endothelial growth factor (VEGF) signaling pathway and Fc gamma R-mediated phagocytosis, which indicated that MCXZ exhibited anti-diabetic activity through multi-faced actions.

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Study on the mechanism of Erzhi Pill in the treatment of breast cancer based on network pharmacology

E3S Web of Conferences ◽

10.1051/e3sconf/202124503055 ◽

2021 ◽

Vol 245 ◽

pp. 03055

Author(s):

Fahu Yuan ◽

Xinghua Liao ◽

Tongcun Zhang

Keyword(s):

Breast Cancer ◽

Target Genes ◽

Enrichment Analysis ◽

Suppressor Gene ◽

Network Pharmacology ◽

Pathway Enrichment Analysis ◽

Active Components ◽

Annotation Database ◽

Amino Terminal ◽

Target Network

Objective: To explore the possible mechanism of Erzhi Pill in the treatment of breast cancer based on network pharmacology. Methods: Through systematic pharmacology database and analysis platform of Traditional Chinese medicine (TCMSP) and literature review, the candidate active ingredients and corresponding targets of Erzhi Pill were retrieved and collected. The UniProt database and the Human Genome Annotation Database (Genecards) were used to compare the results, and the potential target genes were obtained for the coincidence of Erzhi Pill and breast cancer. Cytoscape was used to construct the “candidate component - action target” network of Erzhi Pill. Generate Style from Statistics tool in String database and Cytoscape software was combined to construct protein interaction network.The Kyoto Encyclopedia of Genes and Genomics (KEGG) pathway enrichment analysis and GO classification enrichment analysis for targets of Erzhi Pill were conducted using the Database for Annotation, Visualization and Integrated Discovery (DAVID ) bioinformation resource Database. Results: A total of 21 candidate active components, including Beta-sitosterol, Quercetin, Luteolin, Demethylwedelolactone, Kaempferol and so on, were screened from Erzhi Pill, corresponding to 158 target genes, including vascular endothelial growth factor (VEGF), amino-terminal kinase (C-Jun), proto-oncogene (C-MYC), matrix metalloproteinase-9 (MMP-9), and mainly involved in TNF-α, phosphatidylinositol-3-kinase/protein kinase B(PI3K/Akt), tumor suppressor gene p53, toll-like receptor family and other signaling pathways. Conclusion: This study predicted the possible mechanism of action of Erzhi Pill in the treatment of breast cancer based on the method of network pharmacology, and provided a direction for further research.

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