Target recognition and network pharmacology for revealing anti-diabetes mechanisms of natural product

Wang, Ying; Hu, Baichun; Feng, Shasha; Wang, Jian; Zhang, Fengjiao

doi:10.1016/j.jocs.2020.101186

Cited by 21 publications

(12 citation statements)

References 124 publications

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“…Many studies confirmed that polysaccharides, flavonoids, saponins, and others are effective at managing diabetes. 13 Kudzu root is an edible traditional Chinese herb that has thousands of years of medicinal history. 14 The flower and leaf of Kudzu also have medicinal usage.…”

Section: Introductionmentioning

confidence: 99%

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Glycosides and flavonoids from the extract of Pueraria thomsonii Benth leaf alleviate type 2 diabetes in high-fat diet plus streptozotocin-induced mice by modulating the gut microbiota

Zhang

Guo

et al. 2022

Food Funct.

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show abstract

Section: Introductionmentioning

confidence: 99%

“…Many studies confirmed that polysaccharides, flavonoids, saponins, and others are effective at managing diabetes. 13…”

Section: Introductionmentioning

confidence: 99%

Glycosides and flavonoids from the extract of Pueraria thomsonii Benth leaf alleviate type 2 diabetes in high-fat diet plus streptozotocin-induced mice by modulating the gut microbiota

Zhang

Guo

et al. 2022

Food Funct.

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show abstract

“…Network pharmacology can decode the mechanism of compounds with a multifunctional point of view, which highlights the interaction of diverse factors, instead of “one target, one compound” [ 26 ]. The network pharmacology is therefore a valuable approach to identify potential lead compounds (from natural sources) with specific mechanism of action for the prevention of various disease, and mostly to elucidate the synergistic impact of bioactive compounds [ 27 ]. Zhang B. et al reported that the rapid development of bioinformatics, systems biology, and poly-pharmacology contributes greatly to network-based drug discovery, which is regarded as a cost-effective drug development method [ 28 ].…”

Section: Introductionmentioning

confidence: 99%

Network pharmacology of bioactives from Sorghum bicolor with targets related to diabetes mellitus

Adnan

Cho

2020

PLoS ONE

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Background Sorghum bicolor (SB) is rich in protective phytoconstituents with health benefits and regarded as a promising source of natural anti-diabetic substance. However, its comprehensive bioactive compound(s) and mechanism(s) against type-2 diabetes mellitus (T2DM) have not been exposed. Hence, we implemented network pharmacology to identify its key compounds and mechanism(s) against T2DM. Methods Compounds in SB were explored through GC-MS and screened by Lipinski’s rule. Genes associated with the selected compounds or T2DM were extracted from public databases, and the overlapping genes between SB-compound related genes and T2DM target genes were identified using Venn diagram. Then, the networking between selected compounds and overlapping genes was constructed, visualized, and analyzed by RStudio. Finally, affinity between compounds and genes was evaluated via molecular docking. Results GC-MS analysis of SB detected a total of 20 compounds which were accepted by the Lipinski’s rule. A total number of 16 compounds-related genes and T2DM-related genes (4,763) were identified, and 81 overlapping genes between them were selected. Gene set enrichment analysis exhibited that the mechanisms of SB against T2DM were associated with 12 signaling pathways, and the key mechanism might be to control blood glucose level by activating PPAR signaling pathway. Furthermore, the highest affinities were noted between four main compounds and six genes (FABP3-Propyleneglyco monoleate, FABP4-25-Oxo-27-norcholesterol, NR1H3-Campesterol, PPARA-β-sitosterol, PPARD-β-sitosterol, and PPARG-β-sitosterol). Conclusion Our study overall suggests that the four key compounds detected in SB might ameliorate T2DM severity by activating the PPAR signaling pathway.

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“…Network pharmacology is a systemic methodology to uncover multiple elements such as compounds, targets, diseases, and pathways [13]. Network pharmacology can decode the mechanism of compounds action with comprehensive viewpoint, which sheds light on the paradigm shift from "one target, one compound" to "multiple targets, multiple pathways" [14].…”

Section: Introductionmentioning

confidence: 99%

Network pharmacology study to reveal underlying mechanisms, targets, and bioactives of Aralia cordata against obesity

2022

Netw Model Anal Health Inform Bioinforma

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Aralia cordata (AC) has been used as anti-obesity herbal plants by Chinese, Japanese, and Korean, but its active chemical constituents, mechanism(s), and targets have not been documented completely. We aimed to investigate signi cant phytochemicals, pathways, and targets of AC against obesity via network pharmacology. The phytochemicals from AC were identi ed by Gas Chromatography Mass Spectrum (GC-MS) and were screened subsequently by Lipinski's rule. The compound-target relationships were retrieved by analyzing SwissTargetPrediction (STP), SEA search server. Then, obesity-related targets were identi ed by public bioinformatics and nal overlapping targets were selected by Ven diagram. Next, we constructed and visualized protein-to-protein interaction (PPI) networks, bubble chart, and pathways-targets-compounds (PTC) networks by RPackage. Furthermore, we utilized the Autodock Tools to perform molecular docking test (MDT) on the bioactives and key targets to validate the network pharmacological results. We con rmed a total of 43 compounds from AC via GC-MS and 40 nal targets regarding obesity. The PPI networks analysis revealed IL6 as a key target, and a bubble chart showed that inactivation of Insulin resistance might be the uppermost pathway for anti-obesity. We identi ed that the AC phytochemicals was contributed to synergistic effects (multi-pathway, muti-target) to alleviate obesity through PTC analysis. We conducted MDT to verify the most signi cant compound on a key target (IL6), thereby, con rmed Andrographolide as a key compound of AC on obesity. Overall, we elucidated a key pathway, target, and bioactive of AC against obesity, suggesting signi cant pharmacological basis for further clinical trials.

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Target recognition and network pharmacology for revealing anti-diabetes mechanisms of natural product

Cited by 21 publications

References 124 publications

Glycosides and flavonoids from the extract of Pueraria thomsonii Benth leaf alleviate type 2 diabetes in high-fat diet plus streptozotocin-induced mice by modulating the gut microbiota

Glycosides and flavonoids from the extract of Pueraria thomsonii Benth leaf alleviate type 2 diabetes in high-fat diet plus streptozotocin-induced mice by modulating the gut microbiota

Network pharmacology of bioactives from Sorghum bicolor with targets related to diabetes mellitus

Network pharmacology study to reveal underlying mechanisms, targets, and bioactives of Aralia cordata against obesity

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