Network pharmacology, a promising approach to reveal the pharmacology mechanism of Chinese medicine formula

Zhao, Li; Zhang, Hong; Li, Ning; Chen, Jinman; Xu, Hao; Wang, Yongjun; Liang, Qianqian

doi:10.1016/j.jep.2023.116306

Cited by 134 publications

(55 citation statements)

References 146 publications

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“…In support, previous studies indicated that excess accumulation of harmful bacteria in the colon could elevate the vulnerability to intestinal inflamma- Increasing evidence has indicated that network pharmacology is a promising approach to reveal the pharmacological mechanism and predict active compounds by combining computational analysis with in vivo and in vitro experiments and integrating a large amount of information. 57 In our investigation, the PPI network and KEGG pathway enrichment analysis concomitantly demonstrated that the mechanism by which PSEO mitigated UC was intricately linked to the PI3K/ AKT signaling pathway. The C-T-P network identified that mandelonitrile, alpha-terpineol, isophorone, and linalool were probably the active compounds responsible for the observed effects of PSEO.…”

Section: Discussionmentioning

confidence: 58%

Chemical Composition and Antibacterial and Antiulcerative Colitis Activities of Essential Oil from Pruni Semen

Wang,

Lang,

et al. 2024

J. Agric. Food Chem.

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This study was sought to investigate the chemical composition and antibacterial and antiulcerative colitis (UC) effects of essential oil from Pruni Semen (PSEO). A GC-MS assay showed that the major compounds in PSEO were products of amygdalin hydrolysis, which possessed great antibacterial and anti-inflammatory potential. In vitro antibacterial experiments demonstrated that PSEO treatment inhibited activity of four kinds of intestinal pathogens probably by disrupting the cell wall. Further in vivo studies showed that PSEO administration significantly improved physiological indexes, attenuated histopathological characteristics, and inhibited proinflammatory cytokine production in dextran sulfate sodium (DSS)-induced UC mice. Network pharmacology and molecular docking results predicted that PSEO might prevent UC via regulating the PI3K/AKT pathway. Western blotting and immunofluorescence assays were further conducted for verification, and the results evidenced that PSEO intervention significantly regulated the PI3K/AKT pathway and the expression of its downstream proteins in DSS-induced mice. PSEO might provide a new dietary strategy for UC treatment.

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Section: Discussionmentioning

confidence: 58%

Chemical Composition and Antibacterial and Antiulcerative Colitis Activities of Essential Oil from Pruni Semen

Wang,

Lang,

et al. 2024

J. Agric. Food Chem.

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“…Network pharmacology is a new discipline based on systems biology theory, biological system network analysis, and multitarget drug molecule design-specific signal node selection. 65 Network pharmacology focuses on utilizing holistic and systematic perspectives in biological systems to study complex interaction networks composed of diseases, genes, protein targets, and drugs, providing effective strategies for revealing the overall action patterns of various compounds and herbs. 66 Therefore, in order to predict the potential mechanism of action of A. mollis on hepatitis and determine the role of its compounds in liver protection, a network pharmacological approach was used in this study.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

From Tea to Health: Exploring Abrus mollis for Liver Protection and Unraveling Its Potential Mechanisms

Zhang,

Wang,

Kuang

et al. 2023

J. Agric. Food Chem.

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Abrus mollis Hance is a characteristic medicinal herb which is used in Guangdong and Guangxi provinces of China for making soup, medicinal meals, and herbal tea to treat dampheat jaundice and rib discomfort. Current phytochemical study on A. mollis led to the isolation of four new flavones, mollisone A-D (1–4), and thirty two known compounds (5–36). Their structures were characterized by an extensive analysis of spectroscopic data including IR, UV, HR-ESI-MS, and 1D and 2D NMR, as well as electronic circular dichroism calculation. In addition, in order to initially understand their biological activities for traditional applications, in vitro antioxidant and hepatoprotective tests were carried out, whose results illustrated that 25 compounds had significant free radical scavenging ability, and compounds 13 and 16 exhibited protective activities on D-GalN-induced LO2 cell damage than the positive control. Moreover, network pharmacological analysis revealed that the hepatoprotective activity of A. mollis involved multitargets and multipathways such as PI3K/Akt, MAPK, and JAK-STAT pathways and various biological processes such as positive regulation of phosphorylation and regulation of kinase activity. These results suggested that this species could serve as a potential hepatoprotective agent for functional food or medicinal use.

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“…The TCMSP (https://tcmsp-e.com/tcmsp.php) [16] database was used to screen HZ compounds. Furthermore, oral bioavailability ≥ 30% and drug-likeness ≥ 0.18 [17] were used as screening conditions to identify the active compounds and related targets of HZ.…”

Section: Searching and Screening Of Active Compounds And Related Targ...mentioning

confidence: 99%

Exploring the inhibition mechanism of interleukin-1-beta in gouty arthritis by polygonum cuspidatum using network pharmacology and molecular docking: A review

Zhang

Fang

et al. 2023

Medicine

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Polygonum cuspidatum (Huzhang, HZ) is one of the commonly used traditional Chinese medicines for treating gouty arthritis (GA), but the specific mechanism is not clear. This study employed network pharmacology and molecular docking techniques to examine the molecular mechanisms underlying the therapeutic effects of HZ on GA. The network pharmacology approach, including active ingredient and target screening, drug-compound-target-disease network construction, protein-protein interaction (PPI) networks, enrichment analysis, and molecular docking, was used to explore the mechanism of HZ against GA. Ten active ingredients of HZ were predicted to interact with 191 targets, 14 of which interact with GA targets. Network pharmacology showed that quercetin, physovenine, luteolin, and beta-sitosterol are the core components of HZ, and IL (interleukin)-1β, IL-6, and tumor necrosis factor (TNF) are the core therapeutic targets. The mechanism of HZ in GA treatment was shown to be related to the IL-17 signaling pathway, NOD-like receptor signaling pathway, and Toll-like receptor signaling pathway, and is involved in the inflammatory response, positive regulation of gene expression, cellular response to lipopolysaccharide, and other biological processes. Molecular docking showed that all four core compounds had good binding properties to IL-1β, with luteolin and beta-sitosterol showing better docking results than anakinra, suggesting that they could be used as natural IL-1β inhibitors in further experimental studies. The mechanism of action of HZ against GA has multi-target and multi-pathway characteristics, which provides an important theoretical basis for the study of the active ingredients of HZ as natural IL-1β inhibitors.

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Network pharmacology, a promising approach to reveal the pharmacology mechanism of Chinese medicine formula

Cited by 134 publications

References 146 publications

Chemical Composition and Antibacterial and Antiulcerative Colitis Activities of Essential Oil from Pruni Semen

Chemical Composition and Antibacterial and Antiulcerative Colitis Activities of Essential Oil from Pruni Semen

From Tea to Health: Exploring Abrus mollis for Liver Protection and Unraveling Its Potential Mechanisms

Exploring the inhibition mechanism of interleukin-1-beta in gouty arthritis by polygonum cuspidatum using network pharmacology and molecular docking: A review

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