Insight into the molecular mechanism of a herbal injection by integrating network pharmacology and in vitro

Ma, Yiming; Zhang, Xinzhuang; Su, Zhen-Zhen; Li, Na; Cao, Liang; Ding, Gang; Wang, Zhenzhong; Xiao, Wei

doi:10.1016/j.jep.2015.07.016

Cited by 48 publications

(31 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…TCM formulas always contain multiple herbs (multiple components) and exert a holistic influence through the "multi-component, multi-target, multi-effect" mechanism [3]. It is the complexity of TCM that has led to the difficulty of studying it.…”

Section: Discussionmentioning

confidence: 99%

“…been widely used, especially in the form of herbal formulas, which are various combinations of multiple natural herbs [2]. TCM usually plays a therapeutic role on diverse diseases through "multi-components, multi-targets and multi-pathways" [3,4]. However, it is difficult to decode the molecular evidence of TCM compounds to improve their affinity, specificity, pharmacokinetics and stability [5].…”

mentioning

confidence: 99%

See 1 more Smart Citation

Translating traditional herbal formulas into modern drugs: a network-based analysis of Xiaoyao decoction

Zhang

Gao

et al. 2020

Chin Med

View full text Add to dashboard Cite

Background: Traditional Chinese medicine (TCM) encompasses numerous herbal formulas which play critical therapeutic roles through "multi-components, multi-targets and multi-pathways" mechanisms. Exploring the interaction among these mechanisms can certainly help to depict the core therapeutic function of herbal formulas. Xiaoyao decoction (XYD) is one of the most well-known traditional Chinese medicine formulas which has been widely applied to treat various diseases. In this study, taking XYD as an example, we proposed a network pharmacology-based method to identify the main therapeutic targets of this herbal concoctions.Methods: Chemical data of XYD were retrieved from the Traditional Chinese Medicine Systems Pharmacology Database (TCMSP), Traditional Chinese Medicines Integrated Database (TCMID) and Compound Reference Database (CRD) and screened oral bioavailability attributes from SwissADME using Veber's filter. Targets of sample chemicals were identified using the online tool similarity ensemble approach (SEA), and pathways were enriched using STRING database. On the basis of targets-pathways interactions from the enrichment, a "targets-pathways-targets" (TPT) network was constructed. In the TPT network, the importance of each target was calculated by the declining value of network efficiency, which represents the influential strength of a specific set-off target on the whole network. Network-based predictive results were statistically validated with existing experimental evidence. Results:The TPT network was comprised of 279 nodes and 6549 edges. The declining value of network efficiency of the sample targets was significantly correlated with their involvement frequency in existing studies of XYD using Spearman's test (p < 0.001). The top 10% of candidate targets, such as AKT1, PIK3R1, NFKB1 and RELA, etc., were chosen as XYD's main therapeutic targets, which further show pharmacological functions synergistically through 11 main pathways. These pathways are responsible for endocrine, nutritional or metabolic diseases, neoplasms and diseases of the nervous system, etc. Conclusions:The network pharmacology-based approach in the present study shows promising potential for identifying the main therapeutic targets from TCM formulas. This study provides valuable information for TCM researchers and clinicians for better understanding the main therapeutic targets and therapeutic roles of herbal decoctions in clinical settings.

show abstract

Section: Discussionmentioning

confidence: 99%

mentioning

confidence: 99%

Translating traditional herbal formulas into modern drugs: a network-based analysis of Xiaoyao decoction

Zhang

Gao

et al. 2020

Chin Med

View full text Add to dashboard Cite

show abstract

“…However, the treatment of irritable bowel syndrome from liver and spleen has not been conclusively explained. TCM refers to a sophisticated system with multiple targets and synergistic or antagonistic interactions among its components [14] . The integrity of the whole human body is stressed in the theory of TCM, which is inconsistent with western medicine of "one target, one drug".…”

Section: Introductionmentioning

confidence: 99%

Study on the Mechanism of Tiaogan Yunpi Decoction in Treating Diarrhea-Irritable Bowel Syndrome Based on Network Pharmacology

Yan

Miao³

et al. 2020

Preprint

View full text Add to dashboard Cite

Tiaogan Yunpi Decoction (TGYPD) is a clinical experience commonly used by tutors to treat diarrhea-irritable bowel syndrome (D-IBS); it has been commonly employed to treat ulcerative colitis and chemotherapy-induced intestinal mucositis. However, the mechanism of TGYPD in D-IBS treatment remains unclear. In the present study, the potential mechanism of TGYPD for irritable bowel syndrome was tested by network pharmacology combined with the IBS rat model. On the whole, 56 active ingredients were screened out, and 238 assessed targets were identified; 1934 known disease targets regarding the occurrence and development of irritable bowel syndrome were successfully searched from the disease database. GO biological processes primarily impact cytokine receptor binding, transcription factor activity, cytokine activity, antioxidant activity, biosynthesis regulation, cell cycle regulation and other cellular active sites of irritable bowel syndrome. Besides, the mentioned processes are involved in AGE- RAGE signaling pathway, TNF and IL-17 signaling pathway, Toll-like receptor (TLRs) signaling pathway, multiple cancer signaling pathways, and viral key signaling pathways of infection, hepatitis and endocrine resistance. As reported by the protein interaction network (PPI), IL-6, CXCL8, VEGFR, JUN, MAPK3 and AKT1 are likely to act as the critical targets for TGYPD to treat IBS. Moreover, in the model of IBS-D rats, TGYPD is capable of significantly reducing stool Bristol type and AWR scores, as well as effectively decreasing TNF-αand IFN-γ. As revealed from colon pathological section, TGYPD can relieve intestinal damage and mitigate intestinal mucosal immune inflammation. As suggested from the results of the Western blotting assay, TGYPD is capable of suppressing the expression of TLR4-MYD88-NF-kB signaling pathway in intestines. In brief, the results achieved in this study suggest that TGYPD can significantly mitigate immune inflammation and protect against intestinal mucosal barrier in the intestines of the IBS-D rat model. This study provides novel insights that can be referenced by other TCM studies.

show abstract

“…Any TCM formulation is a complex system with multiple components, multiple targets, and synergistic interactions among its components ( 14 ). Because of its complex chemical composition, it is extremely difficult to study its role in the body as a mixture.…”

Section: Introductionmentioning

confidence: 99%

Identification of the active compounds and significant pathways of yinchenhao decoction based on network pharmacology

Huang

Cheung

Tan

et al. 2017

Molecular Medicine Reports

115

101

View full text Add to dashboard Cite

Yinchenhao decoction (YCHD) is a traditional Chinese medicine formulation, which has been widely used for the treatment of jaundice for 2,000 years. Currently, YCHD is used to treat various liver disorders and metabolic diseases, however its chemical/pharmacologic profiles remain to be elucidated. The present study identified the active compounds and significant pathways of YCHD based on network pharmacology. All of the chemical ingredients of YCHD were retrieved from the Traditional Chinese Medicine Systems Pharmacology database. Absorption, distribution, metabolism and excretion screening with oral bioavailability (OB) screening, drug-likeness (DL) and intestinal epithelial permeability (Caco-2) evaluation were applied to discover the bioactive compounds in YCHD. Following this, target prediction, pathway identification and network construction were employed to clarify the mechanism of action of YCHD. Following OB screening, and evaluation of DL and Caco-2, 34 compounds in YCHD were identified as potential active ingredients, of which 30 compounds were associated with 217 protein targets. A total of 31 significant pathways were obtained by performing enrichment analyses of 217 proteins using the JEPETTO 3.x plugin, and 16 classes of gene-associated diseases were revealed by performing enrichment analyses using Database for Annotation, Visualization and Integrated Discovery v6.7. The present study identified potential active compounds and significant pathways in YCHD. In addition, the mechanism of action of YCHD in the treatment of various diseases through multiple pathways was clarified.

show abstract

Insight into the molecular mechanism of a herbal injection by integrating network pharmacology and in vitro

Cited by 48 publications

References 35 publications

Translating traditional herbal formulas into modern drugs: a network-based analysis of Xiaoyao decoction

Translating traditional herbal formulas into modern drugs: a network-based analysis of Xiaoyao decoction

Study on the Mechanism of Tiaogan Yunpi Decoction in Treating Diarrhea-Irritable Bowel Syndrome Based on Network Pharmacology

Identification of the active compounds and significant pathways of yinchenhao decoction based on network pharmacology

Contact Info

Product

Resources

About