scholarly journals A Network Pharmacology Approach to Uncover the Pharmacological Mechanism of XuanHuSuo Powder on Osteoarthritis

2016 ◽  
Vol 2016 ◽  
pp. 1-10 ◽  
Author(s):  
Huaqi Tang ◽  
Shuaibing He ◽  
Xinyue Zhang ◽  
Shilin Luo ◽  
Baixia Zhang ◽  
...  
Keyword(s):  
Interleukin 1 ◽  
Enrichment Analysis ◽  
Global Scale ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Pathway Enrichment ◽  
Complementary Method ◽  
Pharmacological Mechanism ◽  
First Time ◽  
The Relationship

As the most familiar type of arthritis and a chronic illness of the joints, Osteoarthritis (OA) affects a great number of people on the global scale. XuanHuSuo powder (XHSP), a conventional herbal formula from China, has been extensively applied in OA treatment. Nonetheless, its pharmacological mechanism has not been completely expounded. In this research, a network pharmacology approach has been chosen to study the pharmacological mechanism of XHSP on OA, and the pharmacology networks were established based on the relationship between four herbs found in XHSP, compound targets, and OA targets. The pathway enrichment analysis revealed that the significant bioprocess networks of XHSP on OA were regulation of inflammation, interleukin-1β(IL-1β) production and nitric oxide (NO) biosynthetic process, response to cytokine or estrogen stimuli, and antiapoptosis. These effects have not been reported previously. The comprehensive network pharmacology approach developed by our research has revealed, for the first time, a connection between four herbs found in XHSP, corresponding compound targets, and OA pathway systems that are conducive to expanding the clinical application of XHSP. The proposed network pharmacology approach could be a promising complementary method by which researchers might better evaluate multitarget or multicomponent drugs on a systematic level.

Systematic Investigation of Quercetin for Treating Cardiovascular Disease Based on Network Pharmacology

2019 ◽  
Vol 22 (6) ◽  
pp. 411-420 ◽  
Author(s):  
Xian-Jun Wu ◽  
Xin-Bin Zhou ◽  
Chen Chen ◽  
Wei Mao
Keyword(s):  
Cardiovascular Disease ◽  
Cardiovascular Diseases ◽  
Signaling Pathway ◽  
Kegg Pathway ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Therapeutic Effects ◽  
Pathway Enrichment ◽  
Compound Target

Aim and Objective: Cardiovascular disease is a serious threat to human health because of its high mortality and morbidity rates. At present, there is no effective treatment. In Southeast Asia, traditional Chinese medicine is widely used in the treatment of cardiovascular diseases. Quercetin is a flavonoid extract of Ginkgo biloba leaves. Basic experiments and clinical studies have shown that quercetin has a significant effect on the treatment of cardiovascular diseases. However, its precise mechanism is still unclear. Therefore, it is necessary to exploit the network pharmacological potential effects of quercetin on cardiovascular disease. Materials and Methods: In the present study, a novel network pharmacology strategy based on pharmacokinetic filtering, target fishing, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, compound-target-pathway network structured was performed to explore the anti- cardiovascular disease mechanism of quercetin. Results:: The outcomes showed that quercetin possesses favorable pharmacokinetic profiles, which have interactions with 47 cardiovascular disease-related targets and 12 KEGG signaling pathways to provide potential synergistic therapeutic effects. Following the construction of Compound-Target-Pathway (C-T-P) network, and the network topological feature calculation, we obtained top 10 core genes in this network which were AKT1, IL1B, TNF, IL6, JUN, CCL2, FOS, VEGFA, CXCL8, and ICAM1. KEGG pathway enrichment analysis. These indicated that quercetin produced the therapeutic effects against cardiovascular disease by systemically and holistically regulating many signaling pathways, including Fluid shear stress and atherosclerosis, AGE-RAGE signaling pathway in diabetic complications, TNF signaling pathway, MAPK signaling pathway, IL-17 signaling pathway and PI3K-Akt signaling pathway.

System Pharmacological Mechanism and Compatibility Laws of Jianghuang from Traditional Chinese Medicine In Blood-Regulating Formulae

2020 ◽  
Author(s):  
Zhiqiang Liu ◽  
Bolong Wang
Keyword(s):  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
Kegg Pathway ◽  
Inflammatory Diseases ◽  
Enrichment Analysis ◽  
Pathway Enrichment Analysis ◽  
Pharmacological Effects ◽  
Ppi Network ◽  
Pathway Enrichment ◽  
Pharmacological Mechanism

Abstract Background: Jianghuang (JH) is a popular ingredient in blood-regulating traditional Chinese Medicine (TCM) that could be effective for the treatment of various diseases. We demonstrate the compatibility laws and system pharmacological mechanisms of the key formula containing JH by leveraging data mining of bioinformatics databases.Material/Methods: The compatibility laws of blood-regulating formulae containing JH from the Chinese Traditional Medicine Formula Dictionary were analyzed using a generalized rule induction (GRI) algorithm implemented. The putative target gene and miRNA were retrieved via a combination of the Arrowsmith knowledge discovery tool and FunRich 3.1.3. System pharmacological mechanisms are traced by their protein-protein interaction (PPI) network, and the Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis was conducted using Uniprot, the Human Protein Atlas (HPA), STRING 11.0, and KOBAS 3.0.Results: We found that the JH-CX-DG formula (Ligusticum chuanxiong-Angelica sinensis) could represent a key formula containing JH in blood-regulating TCM formulae. The JH-CX-DG formula was observed to directly target AKT, TLR4, caspase-3, PI3K, mTOR, p38 MAPK, VEGF, iNOS, Nrf2, BDNF, NF-κB, Bcl-2, and Bax 13 targets and regulate targets through 13 miRNA. The PPI network and KEGG pathway enrichment analysis showed that the JH-CX-DG formula possess potential pharmacological effects including anti-inflammatory, improving microcirculation, and anti-tumor through the regulation of multiple pathways including PI3K/Akt, MAPK, Toll-like receptor, T cell receptor, EGFR, VEGFR, Apoptosis, HIF-1 (p < 0.05).Conclusion: The JH-CX-DG formula can exert beneficial pharmacological effects through multi-target and multi-pathway interactions. It can be effectively administered for the treatment of inflammatory diseases, microcirculation disorders, cardiovascular disease, and cancer. We found a new effective drug formula through analyzing the compatibility law and systemic pharmacological mechanism of JH. Our study provides a theoretical basis and directions for subsequent research on the JH-CX-DG formula.

scholarly journals Mechanism of YuPingFeng in the Treatment of COPD Based on Network Pharmacology

2020 ◽  
Vol 2020 ◽  
pp. 1-13
Author(s):  
Yunhong Yin ◽  
Jianyu Liu ◽  
Mengyu Zhang ◽  
Rui Li ◽  
Xiao Liu ◽  
...  
Keyword(s):  
Clinical Practice ◽  
Target Genes ◽  
Interaction Network ◽  
Enrichment Analysis ◽  
Signalling Pathways ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Herbal Formula ◽  
Pathway Enrichment ◽  
Topological Parameters

YuPingFeng (YPF) granules are a classic herbal formula extensively used in clinical practice in China for the treatment of COPD. However, the pathological mechanisms of YPF in COPD remain undefined. In the present research, a network pharmacology-based strategy was implemented to elucidate the underlying multicomponent, multitarget, and multipathway modes of action of YPF against COPD. First, we identified putative YPF targets based on TCMSP databases and constructed a network containing interactions between putative YPF targets and known therapeutic targets of COPD. Next, two topological parameters, “degree” and “closeness,” were calculated to identify target genes in the network. The major hubs were imported to the MetaCore database for pathway enrichment analysis. In total, 23 YPF active ingredients and 83 target genes associated with COPD were identified. Through protein interaction network analysis, 26 genes were identified as major hubs due to their topological importance. GO and KEGG enrichment analysis results revealed YPF to be mainly associated with the response to glucocorticoids and steroid hormones, with apoptotic and HIF-1 signalling pathways being dominant and correlative pathways. The promising utility of YPF in the treatment of COPD has been demonstrated by a network pharmacology approach.

Pharmacological mechanism of Xiaoyao San in the treatment of polycystic ovary syndrome based on network pharmacology

2020 ◽  
Author(s):  
Chunyu Zhu ◽  
Yajun Hu ◽  
Wangdong Zheng ◽  
Yanyan Zhang ◽  
Yiting Li ◽  
...  
Keyword(s):  
Polycystic Ovary Syndrome ◽  
Drug Targets ◽  
Polycystic Ovary ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Active Components ◽  
Ovary Syndrome ◽  
Pharmacological Mechanism ◽  
R Project

Abstract Background : Xiaoyao San(XYS) has been widely used in the treatment of polycystic ovary syndrome(PCOS), but its mechanism is not clear. The purpose of this study is to elucidate the mechanism of XYS in the treatment of PCOS from the aspects of active components, targets and pathways. The purpose of the study is to explore the molecular mechanism of XYS in the treatment of PCOS. Methods : TCMSP database, UniProt and Perl were used to screen and collect the active components and targets of XYS. The genes related to PCOS were searched in GeneCards database. Collect the related targets of PCOS and XYS, use STRING database and Cytoscape software to process the data visually and analyze topology, and screen the key components and targets in the network. The key targets were enriched by R Project to predict the mechanism of XYS in the treatment of PCOS. Results : 68 active components and 96 drug targets in XYS were screened out. 3648 PCOS related disease targets were collected. 66 targets of XYS for PCOS treatment were obtained after analysis. 21 key targets of NCOA2, PGR, PTGS1, PPARG and AR were constructed after topology analysis. 63 biological functions and 111 biological pathways were obtained after gene ontology(GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG) Pathway enrichment analysis. Conclusions : XYS has the characteristics of multi-component, multi-target and multi-path. This study discussed the active components, targets and potential mechanism of XYS in the treatment of PCOS, which provided a new direction for further study of the mechanism of XYS in the treatment of PCOS, and provides more ideas for clinical treatment of PCOS.

scholarly journals Systems Pharmacological Approach to Investigate the Mechanism of Ohwia caudata for Application to Alzheimer’s Disease

Molecules ◽  
2019 ◽  
Vol 24 (8) ◽  
pp. 1499 ◽  
Author(s):  
Yi-wei Sun ◽  
Yue Wang ◽  
Zi-feng Guo ◽  
Kai-cheng Du ◽  
Da-li Meng
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Pathway Enrichment ◽  
Large Numbers ◽  
Brain Barrier Permeability ◽  
Target Network ◽  
Synergistic Mechanism

Ohwia caudata (OC)—a traditional Chinese medicine (TCM)—has been reported to have large numbers of flavonoids, alkaloids, and triterpenoids. The previous studies on OC for treating Alzheimer’s disease (AD) only focused on single targets and its mechanisms, while no report had shown about the synergistic mechanism of the constituents from OC related to their potential treatment on dementia in any database. This study aimed to predict the bioactive targets constituents and find potential compounds from OC with better oral bioavailability and blood–brain barrier permeability against AD, by using a system network level-based in silico approach. The results revealed that two new flavonoids, and another 26 compounds isolated from OC in our lab, were highly connected to AD-related signaling pathways and biological processes, which were confirmed by compound–target network, Gene Ontology (GO) analysis, and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis, respectively. Predicted by the virtual screening and various network pharmacology methods, we found the multiple mechanisms of OC, which are effective for alleviating AD symptoms through multiple targets in a synergetic way.

scholarly journals Utilizing network pharmacology to explore the underlying mechanism of Radix Salviae in diabetic retinopathy

2019 ◽  
Vol 14 (1) ◽  
Author(s):  
Chun-Li Piao ◽  
Jin-Li Luo ◽  
De Jin ◽  
Cheng Tang ◽  
Li Wang ◽  
...  
Keyword(s):  
Diabetic Retinopathy ◽  
Chinese Medicine ◽  
Growth Factor ◽  
Traditional Chinese Medicine ◽  
Molecular Mechanisms ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Pathway Enrichment ◽  
Underlying Mechanisms

Abstract Introduction Radix Salviae (Dan-shen in pinyin), a classic Chinese herb, has been extensively used to treat diabetic retinopathy in clinical practice in China for many years. However, the pharmacological mechanisms of Radix Salviae remain vague. The aim of this study was to decrypt the underlying mechanisms of Radix Salviae in the treatment of diabetic retinopathy using a systems pharmacology approach. Methods A network pharmacology-based strategy was proposed to elucidate the underlying multi-component, multi-target, and multi-pathway mode of action of Radix Salviae against diabetic retinopathy. First, we collected putative targets of Radix Salviae based on the Traditional Chinese Medicine System Pharmacology database and a network of the interactions among the putative targets of Radix Salviae and known therapeutic targets of diabetic retinopathy was built. Then, two topological parameters, “degree” and “closeness certainty” were calculated to identify the major targets in the network. Furthermore, the major hubs were imported to the Database for Annotation, Visualization and Integrated Discovery to perform a pathway enrichment analysis. Results A total of 130 nodes, including 18 putative targets of Radix Salviae, were observed to be major hubs in terms of topological importance. The results of pathway enrichment analysis indicated that putative targets of Radix Salviae mostly participated in various pathways associated with angiogenesis, protein metabolism, inflammatory response, apoptosis, and cell proliferation. The putative targets of Radix Salviae (vascular endothelial growth factor, matrix metalloproteinases, plasminogen, insulin-like growth factor-1, and cyclooxygenase-2) were recognized as active factors involved in the main biological functions of treatment, which implied that these were involved in the underlying mechanisms of Radix Salviae on diabetic retinopathy. Conclusions Radix Salviae could alleviate diabetic retinopathy via the molecular mechanisms predicted by network pharmacology. This research demonstrates that the network pharmacology approach can be an effective tool to reveal the mechanisms of traditional Chinese medicine from a holistic perspective.

scholarly journals Integrating Network Pharmacology and Experimental Validation Deciphers the Mechanism of Guizhi Fuling Wan against Adenomyosis

2021 ◽  
Vol 2021 ◽  
pp. 1-13
Author(s):  
Haoxian Wang ◽  
Jihong Zhang ◽  
Qinqin Zhu ◽  
Xianyun Fu ◽  
Chenjie Li
Keyword(s):  
Molecular Docking ◽  
Signaling Pathway ◽  
Kegg Pathway ◽  
Animal Experiments ◽  
Enrichment Analysis ◽  
Estrogen Signaling ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Pathway Enrichment ◽  
Verification Methods

Aim. This study aimed to predict the key targets and endocrine mechanisms of Guizhi Fuling Wan (GZFLW) in treating adenomyosis (AM) through network pharmacology, molecular docking, and animal experiment verification. Methods. The related ingredients and targets of GZFLW in treating AM were screened out using TCMSP, BATMAN-TCM, SwissTargetPrediction, and PubChem Database. Then, the protein-protein interaction (PPI) analysis and the network of compound-hub targets were constructed. At the same time, the key targets were uploaded to the Metascape Database for KEGG pathway enrichment analysis. After that, the molecular docking technology of the main active components and hub targets was performed. Furthermore, animal experiments were used to verify the results of network pharmacology analysis. Results. A total of 55 active ingredients of GZFLW and 44 overlapping targets of GZFLW in treating AM were obtained. After screening, 25 hub targets were collected, including ESR1, EGF, and EGFR. Then, the KEGG pathway enrichment analysis results indicated that the endocrine therapeutic mechanism of GZFLW against AM is mainly associated with the estrogen signaling pathway, endocrine resistance, and an EGFR tyrosine kinase signaling pathway. Then, molecular docking showed that the significant compounds of GZFLW had a strong binding ability with ERα and EGFR. More importantly, the animal experiments confirmed that the GZFLW could downregulate the abnormal infiltration of the endometrial epithelium into the myometrium and had no interference with the normal sexual cycle. This effect may be directly related to intervening the local estrogen signaling pathway of the endometrial myometrial interface (EMI). It may also be associated with the myometrium cells’ estrogen resistance via GPER/EGFR signaling pathway. Conclusion. The endocrine mechanism of GZFLW in treating AM was explored based on network pharmacology, molecular docking, and animal experiments, which provided a theoretical basis for the clinical application of GZFLW.

scholarly journals Identification of Constituents and Exploring the Mechanism for Toutongning Capsule in the Treatment of Migraine

2022 ◽  
Vol 2022 ◽  
pp. 1-13
Author(s):  
Xia Du ◽  
Zhibiao Di ◽  
Yang Liu ◽  
Wenbing Zhi ◽  
Yuan Liu ◽  
...  
Keyword(s):  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Pathway Enrichment ◽  
Protein Protein Interaction ◽  
Multiple Components ◽  
Search Tool ◽  
Q Exactive ◽  
Drug Similarity ◽  
Target Fishing

Toutongning capsule (TTNC) is an effective and safe traditional Chinese medicine used in the treatment of migraine. In this present study, a multiscale strategy was used to systematically investigate the mechanism of TTNC in treating migraine, which contained UPLC-UESI-Q Exactive Focus network pharmacology and experimental verification. First, 88 compounds were identified by the UPLC-UESI-Q Exactive Focus method for TTNC. Then, the target fishing for these compounds was performed by means of an efficient drug similarity search tool. Third, a series of network pharmacology experiments were performed to predict the key compounds, targets, and pathways. They were protein-protein interaction (PPI), KEGG pathway enrichment analysis, and herbs-compounds-targets-pathways (H-C-T-P) network construction. As a result, 18 potential key compounds, 20 potential key targets, and 6 potential signaling pathways were obtained for TTNC in treatment with migraine. Finally, molecular docking and experimental were carried out to verify the key targets. In short, the results showed that TTNC is able to treat migraine through multiple components, multiple targets, and multiple pathways. This work may provide a theoretical basis for further research on the molecular mechanism of TTNC in the treatment of migraine.

scholarly journals Hidden in plain sight: The effects of BCG vaccination in COVID-19 pandemic

2020 ◽  
Author(s):  
Eman Ali Toraih ◽  
Jessica Ashraf Sedhom ◽  
Titilope Modupe Dokunmu ◽  
Mohammad Hosny Hussein ◽  
Emmanuelle ML Ruiz ◽  
...  
Keyword(s):  
Enrichment Analysis ◽  
Protective Role ◽  
Pathway Enrichment Analysis ◽  
Infection Group ◽  
Bcg Vaccination ◽  
Pathway Enrichment ◽  
Kegg Pathways ◽  
The Relationship ◽  
Bioinformatic Approach ◽  
Cross Reference

AbstractTo investigate the relationship between BCG vaccination and SARS-CoV-2 by bioinformatic approach. Two datasets for Sars-CoV-2 infection group and BCG-vaccinated group were downloaded. Differentially Expressed Genes were identified. Gene ontology and pathways were functionally enriched, and networking was constructed in NetworkAnalyst. Lastly, correlation between post-BCG vaccination and COVID-19 transcriptome signatures were established. A total of 161 DEGs (113 upregulated DEGs and 48 downregulated genes) were identified in the Sars-CoV-2 group. In the pathway enrichment analysis, cross-reference of upregulated KEGG pathways in Sars-CoV-2 with downregulated counterparts in the BCG-vaccinated group, resulted in the intersection of 45 common pathways, accounting for 86.5% of SARS-CoV-2 upregulated pathways. Of these intersecting pathways, a vast majority were immune and inflammatory pathways with top significance in IL-17, TNF, NOD-like receptors, and NF-κB signaling pathways. Our data suggests BCG-vaccination may incur a protective role in COVID-19 patients until a targeted vaccine is developed.Supplementary Materials(https://drive.google.com/open?id=15Na738L282XNaQAJUh0cZf1WoG9jJfzJ)

scholarly journals Network Pharmacology-Based Investigation For Predicting Active Ingredients And Potential Targets Of Strychnos Nux-Vomica L. In Treating Multiple Myeloma

2020 ◽  
Author(s):  
Yan Zhou ◽  
Jianping Shen ◽  
Keting Jin ◽  
Chenjun Lin ◽  
Zirui Hong ◽  
...  
Keyword(s):  
Multiple Myeloma ◽  
Molecular Mechanisms ◽  
Chinese Herb ◽  
Enrichment Analysis ◽  
Network Pharmacology ◽  
Pathway Enrichment Analysis ◽  
Pathway Enrichment ◽  
Topological Parameters ◽  
Pharmacological Potential ◽  
Underlying Mechanisms

Abstract Background: Strychnos nux-vomica L. (SN)，a classic Chinese herb, have long been used for the treatment of cancer for many years, However, the pharmacological mechanisms of SN in treatment of Multiple myeloma L.remain vague.The aim of this study was to examine the network pharmacological potential effects of SN on Multiple myeloma using a systems pharmacology approach.Methods: we collected putative targets of SN based on the Traditional Chinese Medicine System Pharmacology database，and oral bioavailability and drug-likeness was screened using absorption, distribution, metabolism, and excretion (ADME) criteria. the network of the interactions among the putative targets of SN and known therapeutic targets of Multiple myeloma was built by using the STITCH database. Then, topological parameters, “Degree” ,“Closeness” and“Betweenness” were calculated to identify the hub targets in the network. Furthermore, the hub targets were imported to the Database for Annotation, Visualization and Integrated Discovery to perform a pathway enrichment analysis.Results: 60 of the identified potential targets of the SN were also Multiple Myeloma- related targets, including 14 putative targets of SN were observed to be major hubs in terms of topological importance.Additionally,the results of pathway enrichment analysis indicated that targets of SN in treating Multiple Myeloma were mainly clustered into multiple biological processes by activating on several signaling pathways(PI3K-Akt, p38-MAPK, Ras/Raf/MEK/ERK pathways), which implied that these were involved in the underlying mechanisms of SN on Multiple Myeloma. Conclusions: Our works successfully explain the potential effects of SN for Multiple Myeloma treatment via the molecular mechanisms predicted by network pharmacology.Moreover,our present outcomes might shed light on the further clinical application of SN in treating Multiple Myeloma.

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