A Study on the Mechanism of Milkvetch Root in the Treatment of Diabetic Nephropathy Based on Network Pharmacology

Piao, Chunli; Zhang, Qi; Jin, De; Wang, Li; Tang, Cheng; Zhang, Naiwen; Lian, Fengmei; Tong, Xiaolin

doi:10.1155/2020/6754761

Cited by 10 publications

(7 citation statements)

References 72 publications

(60 reference statements)

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“…Following convention, a binding capacity between the tested molecules and proteins was assumed to exist when the binding energy score was greater than 4.25. Scores greater than 5.0 indicate relatively high binding affinity, and scores greater than 7.0 indicate strong ligand–receptor interaction [ 49 ]. Hence, the selected active ingredients (liriodenine, chrysophanol and kaempferol) were docked one to one with PTGS2 using AutoDock according to the binding energy (>7.0).…”

Section: Resultsmentioning

confidence: 99%

Network pharmacology combined with molecular docking to explore the potential mechanisms for the antioxidant activity of Rheum tanguticum seeds

Wang

Xiong

Zhao

et al. 2022

BMC Complement Med Ther

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Background Rheum tanguticum (R. tanguticum) is an edible and medicinal plant that exhibits high antioxidant activity. The purpose of the present study was to investigate the bioactive components of its seeds and the potential mechanisms of antioxidant activity to provide a foundation for further developmental work on R. tanguticum seeds as a functional food. Methods In this study, the antioxidant activities of R. tanguticum seeds were measured using DPPH, ABTS and FRAP assays. LC-Q-TOF/MS was used to identify the active compounds in the seeds, and Swiss Target Prediction was used to identify their potential targets. The DisGENET, DrugBank, OMIM and GeneCard databases were used to search for antioxidant-related targets. Results The component–target–pathway network was constructed and included 5 compounds and 9 target genes. The hub genes included ESR1, APP, MAPK8, HSP90AA1, AKT1, MMP2, PTGS2, TGFB1 and JUN. The antioxidant activity signaling pathways of the compounds for the treatment of diseases were the cancer signaling pathway, estrogen signaling pathway, colorectal cancer signaling pathway, MAPK signaling pathway, etc. Molecular docking revealed that the compounds in R. tanguticum seeds could inhibit potential targets (AKT1, ESR1 and PTGS2). Conclusion Molecular docking studies revealed that the binding energy score between liriodenine and PTGS2 was the highest (8.16), followed by that of chrysophanol (7.10). This result supports the potential for PTGS2-targeted drug screening and design.

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Section: Resultsmentioning

confidence: 99%

Network pharmacology combined with molecular docking to explore the potential mechanisms for the antioxidant activity of Rheum tanguticum seeds

Wang

Xiong

Zhao

et al. 2022

BMC Complement Med Ther

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“…GO analysis is a kind of bioinformatics tool for characterizing molecular function (MF), cellular component (CC) and biological processes (BP) of genes ( 13 ). The protein IDs were determined by MaxQuant (v1.5.2.8; http://www.maxquant.org/ ) database.…”

Section: Methodsmentioning

confidence: 99%

Proteomic analysis of human umbilical cord serum exosomes using mass spectrometry and preliminary study of their biological activities in liver cancer cell lines

Zhu

Fang

et al. 2021

Exp Ther Med

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Exosomes are membranous extracellular vesicles 50-100 nm in size, which are involved in cellular communication via the delivery of proteins, lipids and RNA. Emerging evidence shows that exosomes play a critical role in cancer. It has recently been revealed that maternal and umbilical cord serum (UCS)-derived exosomes may enhance endothelial cell proliferation and migration. However, the role of exosomes isolated from the human umbilical cord in cancer development has not been investigated. To explore the potential differences in the composition and function of proteins from umbilical serum exosomes (UEs) and maternal serum exosomes, a proteomic analysis of exosomes was conducted using mass spectrometry and bioinformatics. Moreover, Cell Counting Kit-8 assays and flow cytometry were used to study the biological effects of UEs on liver cancer cell lines. The present study demonstrated that UCS was enriched with proteins involved in extracellular matrix-receptor interactions, which may be closely related to cell metastasis and proliferation. The findings further indicated that exosomes derived from human umbilical serum could inhibit the viability and induce apoptosis of liver cancer cells. This suggests that UCS-derived exosomes may represent potential leads for the development of biotherapy for liver cancer.

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“…Among them, quercetin, luteolin, kaempferol, ethyl oleate, and luteolin-4′-glucoside, which corresponded to additional core targets, might be the core ingredients of G. biloba in treating T2DM combined with NAFLD. A certain binding activity between the ligand and the receptor is indicated when the total score exceeds 4.0, whereas excellent binding activity is usually observed when the total score exceeds 5.0 (Piao et al, 2020). The docking scores of the eight core ingredients with each target protein, which are shown in Figure 8, indicate the relatively stable binding of the ligand to the receptor.…”

Section: Construction Of the Ingredient-targetpathway Networkmentioning

confidence: 99%

Molecular mechanism of Ginkgo biloba in treating type 2 diabetes mellitus combined with non‐alcoholic fatty liver disease based on network pharmacology, molecular docking, and experimental evaluations

Tang

Qian

et al. 2022

Journal of Food Biochemistry

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Ginkgo biloba has gained increasing attention owing to its remarkable effects against cardiovascular disease. However, the role of G. biloba in hepatic lipid metabolism disorders in type 2 diabetes mellitus (T2DM) combined with non‐alcoholic fatty liver disease (NAFLD) and its underlying mechanisms have not been elucidated. Here, the effective ingredients and mechanisms of action of G. biloba in T2DM combined with NAFLD were investigated via an integrated strategy of network pharmacology and molecular docking. Thirty‐four core targets for the alleviation of T2DM combined with NAFLD were identified and retrieved from multiple open‐source databases, after validating the ameliorative effect of G. biloba on lipid accumulation in vitro. The targets IL6, IL1B, VEGFA, PTGS2, and CCL2, among others, with high network association values, were screened using Cytoscape. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis showed that 34 compounds derived from G. biloba may exert therapeutic effects via response to molecule of bacterial origin, cellular response to lipid, and response to the hormone. In addition, the AGE‐RAGE and IL‐17 signaling pathways were predicted to be most significantly affected. Meanwhile, the outcomes of the molecular docking experiment showed that the most effective ingredients in G. biloba showed a strong binding affinity to the potential target active sites. Findings from further in vitro experiments confirmed that G. biloba treatment decreased the level of IL6, IL1B, and VEGFA protein. In conclusion, our findings provided novel insights into the mechanisms underlying the therapeutic effect of G. biloba in T2DM combined with NAFLD. Practical applications As a medicinal food plant, G. biloba has been shown to exert benefits in cardiovascular diseases. However, the pharmacological material basis and complex mechanism of action in G. biloba in T2DM combined with NAFLD remain unknown. Here, the mechanism by which G. biloba could ameliorate T2DM combined with NAFLD was investigated, and the potential target and molecular mechanism were explored, through a comprehensive strategy combining network pharmacology and molecular docking. Our findings indicate that G. biloba exerts synergistic effects in treating T2DM combined with NAFLD through multi‐ingredients, multi‐targets, and multi‐pathways; the findings also elucidate the nutritional and therapeutic potential of G. biloba in preventing and treating T2DM combined with NAFLD and provides robust evidence for its clinical application.

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A Study on the Mechanism of Milkvetch Root in the Treatment of Diabetic Nephropathy Based on Network Pharmacology

Cited by 10 publications

References 72 publications

Network pharmacology combined with molecular docking to explore the potential mechanisms for the antioxidant activity of Rheum tanguticum seeds

Network pharmacology combined with molecular docking to explore the potential mechanisms for the antioxidant activity of Rheum tanguticum seeds

Proteomic analysis of human umbilical cord serum exosomes using mass spectrometry and preliminary study of their biological activities in liver cancer cell lines

Molecular mechanism of Ginkgo biloba in treating type 2 diabetes mellitus combined with non‐alcoholic fatty liver disease based on network pharmacology, molecular docking, and experimental evaluations

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