Network pharmacology-based prediction of active compounds and molecular targets in Yijin-Tang acting on hyperlipidaemia and atherosclerosis

Lee, A Yeong; Park, Won; Kang, Tae-Wook; Ho, Min; Chun, Jin Mi

doi:10.1016/j.jep.2018.04.027

Cited by 125 publications

(92 citation statements)

References 53 publications

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“…Furthermore, network pharmacology has provided a new way for exploring pharmacological mechanisms of TCMs. many scholars have been made an effort to apply network pharmacology to explore the complex of ingredients, targets, and mechanisms of herbal formulas [19].…”

Section: Discussionmentioning

confidence: 99%

Study on the Mechanism of Buyang Huanwu Decoction for the treatment of Ischemic Stroke Based on Network Pharmacology

Wang¹,

Lü²,

Cao³

et al. 2020

Preprint

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Background: Buyang Huanwu Decoction (BYHWD) is one of the representative prescriptions for tonifying qi and promoting blood circulation. This formula has been widely used in Chinese clinical practice for treatment and prevention of ischemic cerebral vascular diseases. However, the mechanism and active compounds of BYHWD used in clinical practice for ischemic stroke are not well understood. The purpose of this study was to understand the potential active components of BYHWD and further explore its mechanism of improving ischemic stroke. Methods: This study was based on network pharmacology and bioinformatics analysis. The compounds of BYHWD were obtained from public databases. Oral bioavailability as well as drug-likeness were screened by using absorption, distribution, metabolism, and excretion (ADME) criteria. Then, components of BYHWD, candidate targets of each component and known therapeutic targets of ischemic cerebral were collected. A network of compound-target genes and compound-ischemic cerebral was established by means of network pharmacology data sources. The enrichment of key targets and pathways was analyzed by using string database and DAVID database. In addition, we verified three key targets predicted by western blot analysis (IL6, VEGFA and HIF1A). Results: Network pharmacology analysis results of BYHWD identified 7 herbs, 42 compounds and 79 target genes associated to cerebral ischemia. The 10 key compounds were baicalein, beta-carotene, Baicalin, kaempferol, luteolin, quercetin, hydroxysafflor yellow A, isorhamnetin, Bifendate, formononetin,Calycosin, AstragalosideIV, Stigmasterol, sitosterol, Z-ligustilide, Dihydrocapsaicin. Core genes in this network were IL6, TNF, VEGFA, HIF1A, MAPK1, MAPK3, JUN, STAT3, IL1B and IL10. And pathways TNF, IL-17, Apoptosis, PI3K-Akt, Toll-like receptor, MAPK, NF-kappa B and HIF-1 signaling pathway, etc. related to ischemic stroke were identified. In vitro experiments, The results showed that compared with the control group (no treatment), BYHWD could significantly inhibit the expression of IL6 and increased the expression of HIF1A and VEGFA. Conclusions: Network pharmacology analysis can reveal close interactions between multi-components and multi-targets, and enhance our understanding of the potential effects of BYHWD in cerebral ischemia.

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Section: Discussionmentioning

confidence: 99%

Study on the Mechanism of Buyang Huanwu Decoction for the treatment of Ischemic Stroke Based on Network Pharmacology

Wang¹,

Lü²,

Cao³

et al. 2020

Preprint

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“…Generally, compounds with Caco-2 permeability <− 0.4 are regarded as impermeable in the small intestinal epithelium [60,61]. DL is a key qualitative criterion used in drug design to determine candidate chemical components that may be used as drugs based on their structural and pharmacokinetic characteristics [52,62]. Based on previous studies, we regarded chemical compounds with OB ≥ 30%, Caco-2 permeability ≥− 0.4, and DL ≥ 0.18 as pharmacologically active [52,63,64].…”

Section: Exploration Of Active Compounds Of Smtmentioning

confidence: 99%

Network Pharmacology-Based Investigation of the System-Level Molecular Mechanisms of the Hematopoietic Activity of Samul-Tang, a Traditional Korean Herbal Formula

Lee¹,

Park²,

Lee

2020

Evidence-Based Complementary and Alternative Medicine

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Hematopoiesis is a dynamic process of the continuous production of diverse blood cell types to meet the body’s physiological demands and involves complex regulation of multiple cellular mechanisms in hematopoietic stem cells, including proliferation, self-renewal, differentiation, and apoptosis. Disruption of the hematopoietic system is known to cause various hematological disorders such as myelosuppression. There is growing evidence on the beneficial effects of herbal medicines on hematopoiesis; however, their mechanism of action remains unclear. In this study, we conducted a network pharmacological-based investigation of the system-level mechanisms underlying the hematopoietic activity of Samul-tang, which is an herbal formula consisting of four herbal medicines, including Angelicae Gigantis Radix, Rehmanniae Radix Preparata, Paeoniae Radix Alba, and Cnidii Rhizoma. In silico analysis of the absorption-distribution-metabolism-excretion model identified 16 active phytochemical compounds contained in Samul-tang that may target 158 genes/proteins associated with myelosuppression to exert pharmacological effects. Functional enrichment analysis suggested that the targets of Samul-tang were significantly enriched in multiple pathways closely related to the hematopoiesis and myelosuppression development, including the PI3K-Akt, MAPK, IL-17, TNF, FoxO, HIF-1, NF-kappa B, and p53 signaling pathways. Our study provides novel evidence regarding the system-level mechanisms underlying the hematopoiesis-promoting effect of herbal medicines for hematological disorder treatment.

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“…e chemical ingredients of Xihuang pill were collected from the Traditional Chinese Medicine Systems Pharmacology (TCMSP) Database (http://lsp.nwsuaf.edu.cn/tcmsp.php) [13] and the Traditional Chinese Medicine Integrated Database (TCMID, http://www.megabionet.org/tcmid/) [14]. According to the relevant parameters of the pharmacokinetic properties, the ingredients were screened according to oral bioavailability (OB) and drug-likeness (DL) values and those ingredients with DL ≥ 0.18 and OB ≥ 30% were selected as the active ingredients [15,16].…”

Section: Identification Of Ingredients Of Drugmentioning

confidence: 99%

Network Pharmacology-Based Strategy for Predicting Therapy Targets of Traditional Chinese Medicine Xihuang Pill on Liver Cancer

Hao

Chen

2020

Evidence-Based Complementary and Alternative Medicine

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Objective. To investigate the potential therapy targets and pharmacological mechanism of traditional Chinese medicine (TCM) Xihuang pill in liver cancer based on network pharmacology. Methods. Drug ingredients-target network was constructed based on the target sets of Xihuang pill and liver cancer. e overlapping genes between Xihuang pill targets and liver cancer-related molecular targets were investigated using comparative analysis. Moreover, the PPI network and module was constructed based on overlapping genes and hub nodes, respectively, followed by the pathway enrichment analysis. Results. A drug ingredients-target network was established with 1184 nodes and 11035 interactions. Moreover, a total of 106 overlapping genes were revealed between drug targets and liver cancer molecular targets. Furthermore, a PPI network and 4 modules were further investigated based on overlapping genes, respectively. ese hub nodes such as VEGFA and EGFR were mainly enriched in GO functions including positive regulation of MAP kinase activity, activation of protein kinase activity, regulation of MAP kinase activity, and pathways like proteoglycans in cancer, bladder cancer, and estrogen signaling. Conclusion. VEGFA and EGFR might be potential therapy targets of Xihuang pill in liver cancer. Furthermore, the effect of Xihuang pill on liver cancer might be realized by targeting VEGFA and EGFR in pathways like proteoglycans in cancer and estrogen signaling.

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Network pharmacology-based prediction of active compounds and molecular targets in Yijin-Tang acting on hyperlipidaemia and atherosclerosis

Cited by 125 publications

References 53 publications

Study on the Mechanism of Buyang Huanwu Decoction for the treatment of Ischemic Stroke Based on Network Pharmacology

Study on the Mechanism of Buyang Huanwu Decoction for the treatment of Ischemic Stroke Based on Network Pharmacology

Network Pharmacology-Based Investigation of the System-Level Molecular Mechanisms of the Hematopoietic Activity of Samul-Tang, a Traditional Korean Herbal Formula

Network Pharmacology-Based Strategy for Predicting Therapy Targets of Traditional Chinese Medicine Xihuang Pill on Liver Cancer

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