Network Pharmacology‐Based Identification of the Mechanisms of Shen‐Qi Compound Formula in Treating Diabetes Mellitus

Hu, Zhipeng; Yang, Maoyi; Xie, Changchun; Gao, Hong; Fu, Xiaoxu; Xie, Hongyan; Liu, Ya

doi:10.1155/2020/5798764

Cited by 7 publications

(6 citation statements)

References 105 publications

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“…e goal of this integrative science is to unveil the mechanisms of disease pathogenesis and drug activity that are coordinated through the interactions among diverse biological components such as genes, proteins, cells, tissues, and organs [61][62][63][64][65][66][67][68]. Previous network pharmacology studies successfully investigated the polypharmacological properties of herbal drugs by identifying their active compounds and key therapeutic targets and further elucidating the distinct system-level pharmacological effects and mechanisms (e.g., therapeutic modulation of biological processes such as proliferation, apoptosis, cell cycle regulation, angiogenesis, oxidation and reduction, insulin metabolism, and inflammation) for the treatment of various diseases, including cancer, diabetes, arthritis, and ischemic stroke, which are exerted by the synergistic interplay between multiple compounds and targets contained in herbal drugs [61][62][63][64][65][66][67][68][69][70][71][72][73][74][75][76][77][78][79]. In the present network pharmacology study, we aimed to uncover the molecular mechanisms that underlie the analgesic properties of JGd with a system's perspective.…”

Section: Introductionmentioning

confidence: 99%

An Investigation of the Molecular Mechanisms Underlying the Analgesic Effect of Jakyak‐Gamcho Decoction: A Network Pharmacology Study

Lee¹,

Kang

Park³

et al. 2020

Evidence-Based Complementary and Alternative Medicine

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Herbal drugs have drawn substantial interest as effective analgesic agents; however, their therapeutic mechanisms remain to be fully understood. To address this question, we performed a network pharmacology study to explore the system-level mechanisms that underlie the analgesic activity of Jakyak-Gamcho decoction (JGd; Shaoyao-Gancao-Tang in Chinese and Shakuyaku-Kanzo-To in Japanese), an herbal prescription consisting of Paeonia lactiflora Pallas and Glycyrrhiza uralensis Fischer. Based on comprehensive information regarding the pharmacological and chemical properties of the herbal constituents of JGd, we identified 57 active chemical compounds and their 70 pain-associated targets. The JGd targets were determined to be involved in the regulation of diverse biological activities as follows: calcium- and cytokine-mediated signalings, calcium ion concentration and homeostasis, cellular behaviors of muscle and neuronal cells, inflammatory response, and response to chemical, cytokine, drug, and oxidative stress. The targets were further enriched in various pain-associated signalings, including the PI3K-Akt, estrogen, ErbB, neurotrophin, neuroactive ligand-receptor interaction, HIF-1, serotonergic synapse, JAK-STAT, and cAMP pathways. Thus, these data provide a systematic basis to understand the molecular mechanisms underlying the analgesic activity of herbal drugs.

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Section: Introductionmentioning

confidence: 99%

An Investigation of the Molecular Mechanisms Underlying the Analgesic Effect of Jakyak‐Gamcho Decoction: A Network Pharmacology Study

Lee¹,

Kang

Park³

et al. 2020

Evidence-Based Complementary and Alternative Medicine

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“…The bigger size the of the node, the higher the corresponding degree value. According to the degree value, top 10 genes that were found to be influential targets in the treatment of ZL capsule via ferroptosis are as follows: TP53 [ 25 ], TNF [ 23 ], EGFR [ 22 ], PTEN [ 22 ], MYC [ 21 ], JUN [ 21 ], PTGS2 [ 18 ], RELA [ 16 ], HMOX1 [ 15 ] and GSK3B [ 15 ].…”

Section: Resultsmentioning

confidence: 99%

“…TCMSP is a database with the composition of herbal entries, which could help reveal the mechanisms of action of traditional Chinese medicine (TCM) and uncover the nature of TCM theory [ 22 ]. According to the characteristics of pharmacokinetics ADME (absorption, distribution, metabolism, and excretion), the results retrieved from TCMSP were screened by two indexes: oral bioavailability (OB) ≥30% and drug-likeness (DL) ≥0.18 to screen the effective active ingredients of ZL capsule [ 24 , 25 ]. The active ingredients of Shuizhi and Dilong were screened from TCMID ( https://47.100.169.139/tcmid/search/ ), and then screened in SwissADME to filter ingredients with low gastrointestinal (GI) absorption and SwissTargetPrediction [ 26 ] to predict the most probable protein targets [ 27 ].…”

Section: Methodsmentioning

confidence: 99%

Exploring the Ferroptosis Mechanism of Zhilong Huoxue Tongyu Capsule for the Treatment of Intracerebral Hemorrhage Based on Network Pharmacology and In Vivo Validation

Wang

Ren

Wang

et al. 2022

Evidence-Based Complementary and Alternative Medicine

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Objective. The purpose of this study is to explore the mechanism of the Zhilong Huoxue Tongyu (ZL) capsule in the treatment of intracerebral hemorrhage (ICH) via targeting ferroptosis based on network pharmacology. Methods. The active ingredients and related key targets of the ZL capsule were screened using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). The gene ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis were also performed. Finally, identified targets were validated in an in-vivo model of ICH. Results. A total of 30 active ingredients and 33 intersecting targets were identified through a TCMSP database search. Ingredients-Targets-Pathways network was constructed to filter out the key targets according to the degree value. TP53 was selected as the key target. The in-vivo validation studies demonstrated that TP53 was down-regulated and GPX4 was upregulated in rats following ZL capsule treatment. Conclusions. It is concluded that the ZL capsule could alleviate ICH in a muti-target and multi-pathway manner. ZL capsule could alleviate ICH by inhibiting ferroptosis, and TP53 is identified to be the potential target. Further research is needed to clarify the detailed anti-ferroptotic mechanism of the ZL capsule.

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“…rough the upregulation of VEGF, NO, ROS, and PDGF, it is able to cause endothelial cell dysfunction, proliferation, angiogenesis, and inflammation [34]. It was also found that the TNF, PI3K/Akt, and MAPK signal pathways can interact with the HIF signal pathway, leading to the gradual progress of diabetes and its complications [35].…”

Section: Discussionmentioning

confidence: 99%

Potential Mechanisms of Biejiajian Pill in the Treatment of Diabetic Atherosclerosis Based on Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation

Zhu

Yuan

et al. 2022

Evidence-Based Complementary and Alternative Medicine

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Background. Biejiajian pill (BJJP), a classical traditional Chinese formula, has been reported that it has an effective treatment for diabetic atherosclerosis in recent years, but its underlying mechanisms remain elusive. The study aimed to explore the potential mechanisms of BJJP on diabetic atherosclerosis by integrating network pharmacology, molecular docking, and molecular dynamics simulation. Methods. The active components of BJJP were collected by TCMSP and TCMID, and then the potential targets were obtained from the SwissTargetPrediction database. The targets related to diabetic atherosclerosis were identified from the GeneCards and OMIM databases. The intersection of the potential targets regulated by active components of BJJP and the targets of diabetic atherosclerosis were common targets, which were visualized by the Venn diagram. The common targets were imported into the STRING database to construct a protein-protein interaction (PPI) network. The network of “Medicine-Compound-Target” was constructed with Cytoscape 3.7.1 software. GO functional enrichment analysis and KEGG pathway enrichment analysis were performed using the DAVID database and visualized through bioinformatics. The intersecting targets were input into Cytoscape 3.7.1 software, and the Network Analyzer tool was employed to screen out the key targets. Then molecular docking was used to verify the binding affinity between the active compounds and the key targets, and molecular dynamics simulation was used to investigate the stability of the binding models. Results. A total of 81 active components, 186 targets of BJJP, and 4041 targets of diabetic atherosclerosis were obtained. Furthermore, 121 overlapping targets were identified. GO functional enrichment analysis revealed that these targets were correlated with the oxidation-reduction process, negative regulation of apoptotic process, inflammatory response, and other biological processes. The results of the KEGG pathway enrichment analysis showed that the common targets mainly participated in proteoglycans in cancer, PPAR signaling pathway, adherens junction, insulin resistance, HIF-1 signaling pathway, PI3K-Akt signaling pathway, etc. The results of molecular docking confirmed that the core active components in BJJP could bind well to the key targets. Results from molecular dynamics simulation showed that the binding energies of AKT1-Luteolin, MMP9-quercetin, and MMP9-luteolin complexes were −28.93 kJ·mol−1, −37.12 kJ·mol−1, and −62.91 kJ·mol−1, respectively. Conclusion. The study revealed that BJJP is characterized as multicomponent, multitarget, and multipathway to treat diabetic atherosclerosis, which is helpful to provide ideas and a basis for pharmacological research and clinical application in the future.

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Network Pharmacology‐Based Identification of the Mechanisms of Shen‐Qi Compound Formula in Treating Diabetes Mellitus

Cited by 7 publications

References 105 publications

An Investigation of the Molecular Mechanisms Underlying the Analgesic Effect of Jakyak‐Gamcho Decoction: A Network Pharmacology Study

An Investigation of the Molecular Mechanisms Underlying the Analgesic Effect of Jakyak‐Gamcho Decoction: A Network Pharmacology Study

Exploring the Ferroptosis Mechanism of Zhilong Huoxue Tongyu Capsule for the Treatment of Intracerebral Hemorrhage Based on Network Pharmacology and In Vivo Validation

Potential Mechanisms of Biejiajian Pill in the Treatment of Diabetic Atherosclerosis Based on Network Pharmacology, Molecular Docking, and Molecular Dynamics Simulation

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