Exploring the Ligand-Protein Networks in Traditional Chinese Medicine: Current Databases, Methods and Applications

Zhao, Mingzhu; Wei, Dong‐Qing

doi:10.1007/978-94-017-9245-5_14

Cited by 11 publications

(6 citation statements)

References 130 publications

(52 reference statements)

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“…Studies indicated that the extracts and compounds from Traditional Chinese medicines suppressed the EMT ( Zhao and Wei, 2015 ), proliferation and migration of different cancer cells by inhibiting CFL1 signaling pathway in different cancer cells ( Wang et al, 2017 ; Liu et al, 2018 ). The Garcinia species from Guttiferae family have been studied for nearly 80 years ( Lu et al, 2020 ; Wu et al, 2020 ).…”

Section: Introductionmentioning

confidence: 99%

Nujiangexanthone A Inhibits Hepatocellular Carcinoma Metastasis via Down Regulation of Cofilin 1

Zhang

Chai

Kong

et al. 2021

Front. Cell Dev. Biol.

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Hepatocellular carcinoma (HCC) is one of the malignant tumors with poor prognosis. High expression level of cofilin 1 (CFL1) has been found in many types of cancers. However, the role of CFL1 in HCC hasn’t been known clearly. Here, we found that CFL1 was up regulated in human HCC and significantly associated with both overall survival and disease-free survival in HCC patients. Nujiangexanthone A (NJXA), the caged xanthones, isolated from gamboge plants decreased the expression of CFL1, which also inhibited the migration, invasion and metastasis of HCC cells in vitro and in vivo. Down regulation of CFL1 inhibited aggressiveness of HCC cells, which mimicked the effect of NJXA. Mechanism study indicated that, knockdown of CFL1 or treatment with NJXA increased the level of F-actin and disturbed the balance between F-actin and G-actin. In conclusion, our findings reveal the role of CFL1 in HCC metastasis through the CFL1/F-actin axis, and suggest that CFL1 may be a potential prognostic marker and a new therapeutic target. NJXA can effectively inhibit the metastasis of HCC cells by down regulating the expression of CFL1, which indicates the potential of NJXA for preventing metastasis in HCC.

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Section: Introductionmentioning

confidence: 99%

Nujiangexanthone A Inhibits Hepatocellular Carcinoma Metastasis via Down Regulation of Cofilin 1

Zhang

Chai

Kong

et al. 2021

Front. Cell Dev. Biol.

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“…With the advent of the era of big data, now there are large amounts of data about known and predicted protein interactions 12 . Once we use network pharmacology to predict potential targets of active components in Traditional Chinese Medicine (TCM) formula 13 , a component-target protein-related protein-metabolite network can be constructed with the combination of network pharmacology and metabolomics. As a combination of approaches is most likely to bear fruit, the combination of network pharmacology and metabolomics called network analysis could increase the degree of accuracy of target identification of network pharmacology.…”

mentioning

confidence: 99%

Drug target identification using network analysis: Taking active components in Sini decoction as an example

Chen

Jiang

Cao

et al. 2016

Sci Rep

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Identifying the molecular targets for the beneficial effects of active small-molecule compounds simultaneously is an important and currently unmet challenge. In this study, we firstly proposed network analysis by integrating data from network pharmacology and metabolomics to identify targets of active components in sini decoction (SND) simultaneously against heart failure. To begin with, 48 potential active components in SND against heart failure were predicted by serum pharmacochemistry, text mining and similarity match. Then, we employed network pharmacology including text mining and molecular docking to identify the potential targets of these components. The key enriched processes, pathways and related diseases of these target proteins were analyzed by STRING database. At last, network analysis was conducted to identify most possible targets of components in SND. Among the 25 targets predicted by network analysis, tumor necrosis factor α (TNF-α) was firstly experimentally validated in molecular and cellular level. Results indicated that hypaconitine, mesaconitine, higenamine and quercetin in SND can directly bind to TNF-α, reduce the TNF-α-mediated cytotoxicity on L929 cells and exert anti-myocardial cell apoptosis effects. We envisage that network analysis will also be useful in target identification of a bioactive compound.

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“…The death of dopaminergic neurons involves complex pathogenic factors and pathological mechanisms, suggesting that it is di cult for drugs with a single target to achieve a satisfactory therapeutic effect in the treatment of PD. Traditional TCM has a long application history in China and other Asian countries, besides, TCM is considered the pioneer of "multicomponent and multi-target pharmacology" [53]. Based on the theory of TCM, PD belongs to the category of tremble syndrome which considers de ciency of body caused by old age, liver and kidney de ciency, and wind evil stirring internally caused by tendons dystrophy as its etiology.…”

Section: Discussionmentioning

confidence: 99%

Predication of the Underlying Protective Effect of Saffron on Parkinson's Disease via Network Pharmacology and Molecular Docking

Gong

Hao

et al. 2021

Preprint

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BackgroundReports indicate that saffron originated from Iran then introduced into mainland China through the earlier established trans-Tibet trade routes in ancient China. Based to the theory of traditional Chinese medicine, saffron functions by promoting blood circulation and removing blood stasis, cooling blood and detoxification, as well as relieving depression for tranquilization. Modern medical research has demonstrated several properties of saffron including antitumor, antidepressant, enhancement of immunity, cardioprotection. Notably, recent studies introduce that saffron has a neuroprotective effect, specifically in the treatment of Parkinson's disease in recent years. Nevertheless, the underlying molecular mechanism remains elusive so far. As such, this study aims to predict the underlying mechanism of saffron on Parkinson's disease through network pharmacology and molecular docking.MethodsA functional-based network pharmacology and molecular docking model was constructed for dissecting the underlying mechanism of saffron on Parkinson's disease. Based on the Traditional Chinese Medicine System Pharmacology database (TCMSP) and the literature reviews, the putative targets of Saffron were collected. Further, the interaction networks of Drug- candidate compounds targets-Therapeutic targets-Disease were mined using the Cytoscape software. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were conducted and the String database was used to analyze the protein interaction network. Finally, Molecular docking was used to predict the interaction between the components in Saffron and key targets by MOE 2014.09 software.ResultsA total of 9 candidate compounds from saffron corresponding to 52 therapeutic targets of Parkinson's disease were identified. The neuroprotective effect of saffron in the treatment of PD was attributed to the strong binding between crocin (including crocin I and crocin II) as well as key targets including CASP3, IL6, and MAPK8. Additionally, the auxiliary neuroprotective effects might have originated from quercetin, kaempferol, isorhamnetin, crocetin, safranal, and picrocrocin because of their slightly weaker binding capacity to the key targets.ConclusionSaffron exhibits a synergistic effect via multiple targets and pathways in the treatment of Parkinson's disease and our systemic pharmacological analysis provides a basis for the clinical application and in-depth study of saffron.

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Exploring the Ligand-Protein Networks in Traditional Chinese Medicine: Current Databases, Methods and Applications

Cited by 11 publications

References 130 publications

Nujiangexanthone A Inhibits Hepatocellular Carcinoma Metastasis via Down Regulation of Cofilin 1

Nujiangexanthone A Inhibits Hepatocellular Carcinoma Metastasis via Down Regulation of Cofilin 1

Drug target identification using network analysis: Taking active components in Sini decoction as an example

Predication of the Underlying Protective Effect of Saffron on Parkinson's Disease via Network Pharmacology and Molecular Docking

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