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

2021 ◽  
Vol 2021 ◽  
pp. 1-14
Author(s):  
Guoqiang Liang ◽  
Lurong Zhang ◽  
Guorong Jiang ◽  
Xuanyi Chen ◽  
Yang Zong ◽  
...  
Keyword(s):  
Alternative Therapy ◽  
Diabetic Gastroparesis ◽  
Network Pharmacology ◽  
Active Components ◽  
Complementary And Alternative Therapy ◽  
Pharmacological Approach ◽  
Target Network ◽  
Heavy Burden ◽  
Bioactive Ingredients ◽  
Coptidis Rhizoma

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.

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

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.

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

2015 ◽  
Vol 2015 ◽  
pp. 1-6 ◽  
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.

scholarly journals Anticancer Activities of Ginsenosides, the Main Active Components of Ginseng

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.

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

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.

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

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.

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

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.

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

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.

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

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.

scholarly journals Exploring the Potential Mechanism of Shennao Fuyuan Tang for Ischemic Stroke Based on Network Pharmacology and Molecular Docking

2021 ◽  
Vol 2021 ◽  
pp. 1-17
Author(s):  
Jia Min Li ◽  
Zhen Ni Mu ◽  
Tian Tian Zhang ◽  
Xin Li ◽  
Yan Shang ◽  
...  
Keyword(s):  
Ischemic Stroke ◽  
Molecular Docking ◽  
Signal Pathway ◽  
Biologically Active ◽  
Network Pharmacology ◽  
Ppi Network ◽  
Active Components ◽  
The Core ◽  
Target Network ◽  
Core Components

Background and Objective. Shennao Fuyuan Tang (SNFYT) is an effective herbal formula for ischemic stroke (IS). It has been in China for more than 20 years, but its effective biologically active components and underlying mechanisms remain to be elucidated. This study aimed to investigate the mechanism of action of SNFYT for the treatment of IS from both network pharmacology and molecular docking aspects. Methods. Screen the biologically active components and potential targets of SNFYT through Traditional Chinese Medicine Systems Pharmacology (TCMSP), Traditional Chinese Medicines Integrated Database (TCMID), and related literature. In addition, DrugBank, OMIM, DisGeNET, and the Therapeutic Target Database were searched to explore the therapeutic targets of IS. The cross-targets of SNFYT potential targets and IS treatment targets were taken as candidate gene targets, and GO and KEGG enrichment analyses were performed on the candidate targets. On this basis, the SNFYT-component-target network and protein-protein interaction (PPI) network were constructed using Cytoscape 3.7.2. Finally, AutoDock was used to verify the molecular docking of core components and core targets. Results. We screened out 95 potentially active components and 143 candidate targets. SNFYT-component-target network, PPI network, and Cytoscape analysis identified four core active ingredients and 14 core targets. GO enrichment analyzed 2333 biological processes, 79 cell components, and 149 molecular functions. There are 170 KEGG-related signal pathways P < 0.05 , including the IL-17 signal pathway, TNF signal pathway, and HIF-1 signal pathway. The molecular docking results of the core components and the core targets showed good binding power. Conclusions. SNFYT may achieve the effect of treating ischemic stroke through its anti-inflammatory effect through a signal pathway with core targets as the core.

scholarly journals Analysis of Antidepressant Activity of Huang-Lian Jie-Du Decoction Through Network Pharmacology and Metabolomics

2021 ◽  
Vol 12 ◽  
Author(s):  
Shu-Yue Qu ◽  
Xiao-Yue Li ◽  
Xia Heng ◽  
Yi-Yu Qi ◽  
Ping-Yuan Ge ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Signaling Pathway ◽  
Antidepressant Activity ◽  
Tryptophan Metabolism ◽  
Network Pharmacology ◽  
Mild Stress ◽  
Active Components ◽  
Active Compounds ◽  
Complementary And Alternative Therapy ◽  
Biochemical Pathways

Depressive disorder is a common mental disorder characterized by depressed mood and loss of interest or pleasure. As the Herbal medicines are mainly used as complementary and alternative therapy for depression. This study aimed at exploring antidepressant activity of Huang-lian Jie-du Decoction (HLJDD), and evaluating active components and potential depression-associated targets. HLJDD was administered on chronic unpredictable mild stress-induced (CUMS) depressive mice. Behavior evaluation was performed through force swimming test (FST), novelty-suppressed feeding test (NSF), and open field test (OFT). Active components of HLJDD, potential targets, and metabolic pathways involved in depression were explored through systemic biology-based network pharmacology assay, molecular docking and metabonomics. FST assay showed that CUMS mice administered with HLJDD had significantly shorter immobility time compared with control mice. Further, HLJDD alleviated feeding latency of CUMS mice in NSFand increased moving distance and duration in OFT. In the following network pharmacology assay, thirty-eight active compounds in HLJDD were identified based on drug-like characteristics, and pharmacokinetics and pharmacodynamics profiles. Moreover, forty-eight molecular targets and ten biochemical pathways were uncovered through molecular docking and metabonomics. GRIN2B, DRD, PRKCA, HTR, MAOA, SLC6A4, GRIN2A, and CACNA1A are implicated in inhibition of depressive symptoms through modulating tryptophan metabolism, serotonergic and dopaminergic synaptic activities, cAMP signaling pathway, and calcium signaling pathway. Further network pharmacology-based analysis showed a correlation between HLJDD and tryptophan metabolism. A total of thirty-seven active compounds, seventy-six targets, and sixteen biochemical pathways were involved in tryptophan metabolism. These findings show that HLJDD acts on potential targets such as SLC6A4, HTR, INS, MAO, CAT, and FoxO, PI3K/Akt, calcium, HIF-1, and mTOR signaling pathways, and modulates serotoninergic and dopaminergic synaptic functions. In addition, metabonomics showed that tryptophan metabolism is the primary target for HLJDD in CUMS mice. The findings of the study show that HLJDD exhibited antidepressant effects. SLC6A4 and MAOA in tryptophan metabolism were modulated by berberine, baicalein, tetrahydroberberine, candicine and may be the main antidepressant targets for HLJDD.

Sign in / Sign up

Export Citation Format

Share Document