Systems pharmacological study based on UHPLC-Q-Orbitrap-HRMS, network pharmacology and experimental validation to explore the potential mechanisms of Danggui-Shaoyao-San against atherosclerosis

Bi, Ye; Han, Xiaozhe; Lai, Yigui; Fu, Yingchang; Li, Kongzheng; Zhang, Wei; Wang, Qiang; Jiang, Xuefeng; Zhou, Yingchun; Liang, Hongfeng; Fan, Huijie

doi:10.1016/j.jep.2021.114278

Cited by 18 publications

(19 citation statements)

References 41 publications

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“…These proteins also participant in inflammation-related signaling pathways such as TNF signaling pathway and T cell receptor signaling pathway. Yin et al (2021) also reported that DSS could reduce the expression of TNF in fructose-fed rats and Bi et al (2021) demonstrated that DSS alleviates atherosclerosis through decreasing the expression of molecule including TNF, IL-1B and ICAM1. Hence, in this study, we found that DSS may improve DKD through inflammation-related signaling pathways by targeting TNF and other related targets, which was consistent with previous research.…”

Section: Discussionmentioning

confidence: 96%

“…In cerebral ischemic-reperfusion injury, Luo et al (2021) also found that DSS could attenuate oxidative stress and inhibit neuronal apoptosis. Besides, in lipopolysaccharide-induced human umbilical vein endothelial cells injury model, Bi et al (2021) suggested that DSS could inhibit the phosphorylation of NF-kappa B. In addition, Zhang and others demonstrated that DSS improves renal fibrosis through attenuating hypoxia and regulating autophagy in unilateral ureteral obstruction rat model (Zhang et al, 2019).…”

Section: Discussionmentioning

confidence: 99%

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Using network pharmacology to explore the mechanism of Danggui-Shaoyao-San in the treatment of diabetic kidney disease

Yang

Liu

et al. 2022

Front. Pharmacol.

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Danggui-Shaoyao-San (DSS) is one of traditional Chinese medicine, which recently was found to play a protective role in diabetic kidney disease (DKD). However, the pharmacological mechanisms of DSS remain obscure. This study would explore the molecular mechanisms and bioactive ingredients of DSS in the treatment of DKD through network pharmacology. The potential target genes of DKD were obtained through OMIM database, the DigSee database and the DisGeNET database. DSS-related targets were acquired from the BATMAN-TCM database and the STITCH database. The common targets of DSS and DKD were selected for analysis in the STRING database, and the results were imported into Cytoscape to construct a protein-protein interaction network. Kyoto Encyclopedia of Genes and Genomes (KEGG) pathways enrichment analysis and Gene Ontology (GO) enrichment analysis were carried out to further explore the mechanisms of DSS in treating DKD. Molecular docking was conducted to identify the potential interactions between the compounds and the hub genes. Finally, 162 therapeutic targets of DKD and 550 target genes of DSS were obtained from our screening process. Among this, 28 common targets were considered potential therapeutic targets of DSS for treating DKD. Hub signaling pathways including HIF-1 signaling pathway, TNF signaling pathway, AMPK signaling pathway, mTOR signaling pathway, and PI3K-Akt signaling pathway may be involved in the treatment of DKD using DSS. Furthermore, TNF and PPARG, and poricoic acid C and stigmasterol were identified as hub genes and main active components in this network, respectively. In this study, DSS appears to treat DKD by multi-targets and multi-pathways such as inflammatory, oxidative stress, autophagy and fibrosis, which provided a novel perspective for further research of DSS for the treatment of DKD.

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Section: Discussionmentioning

confidence: 96%

Section: Discussionmentioning

confidence: 99%

Using network pharmacology to explore the mechanism of Danggui-Shaoyao-San in the treatment of diabetic kidney disease

Yang

Liu

et al. 2022

Front. Pharmacol.

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“…The results demonstrated that the neuroprotective activity of FA was superior to that of vanillic acid and anisic acid. Several studies have confirmed that FA is the major constituent in DSS, and the content of FA in DSS was much higher than that of vanillic acid and anisic acid (Chen et al, 2009;Bi et al, 2021). Therefore, FA was selected as a typical component for further experimental validation.…”

Section: Discussionmentioning

confidence: 99%

Mathematical algorithm–based identification of the functional components and mechanisms in depression treatment: An example of Danggui-Shaoyao-San

Gong

Wang

et al. 2022

Front. Cell Dev. Biol.

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Depression, a complex epidemiological mental disorder, affects around 350 million people worldwide. Despite the availability of antidepressants based on monoamine hypothesis of depression, most patients suffer side effects from these drugs, including psychomotor impairment and dependence liability. Traditional Chinese medicine (TCM) is receiving more and more attention due to the advantages of high therapeutic performance and few side effects in depression treatment. However, complex multicomponents and multi-targets in TCM hinder our ability to identify the functional components and molecular mechanisms of its efficacy. In this study, we designed a novel strategy to capture the functional components and mechanisms of TCM based on a mathematical algorithm. To establish proof of principle, the TCM formula Danggui-Shaoyao-San (DSS), which possesses remarkable antidepressant effect but its functional components and mechanisms are unclear, is used as an example. According to the network motif detection algorithm, key core function motifs (CIM) of DSS in treating depression were captured, followed by a functional analysis and verification. The results demonstrated that 198 pathways were enriched by the target genes of the CIM, and 179 coincided with the enriched pathways of pathogenic genes, accounting for 90.40% of the gene enrichment pathway of the C-T network. Then the functional components group (FCG) comprising 40 components was traced from CIM based on the target coverage accumulation algorithm, after which the pathways enriched by the target genes of FCG were selected to elucidate the potential mechanisms of DSS in treating depression. Finally, the pivotal components in FCG of DSS and the related pathways were selected for experimental validation in vitro and in vivo. Our results indicated good accuracy of the proposed mathematical algorithm in sifting the FCG from the TCM formula, which provided a methodological reference for discovering functional components and interpreting molecular mechanisms of the TCM formula in treating complex diseases.

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“…Wolf, Atractylodes macrocephala Koidz., and Alisma plantago-aquatica Linn. Modern medical research shows that DSS has a variety of beneficial effects, such as inhibiting uterine contraction ( Hua et al, 2008 ), regulating vasomotor substances ( Tzeng et al, 2013 ), improving blood supply ( Kim et al, 2016 ), and improving the anti-inflammatory ( Yin et al, 2016 ) and immune regulations ( Bi et al, 2021 ). Through reliable clinical and animal studies, it was ascertained that DSS treatment on PD exhibited a significant analgesic effect via regulating ovarian hormone secretion, vasorelaxation, and inflammatory reactions ( Zhou et al, 2015 ).…”

Section: Introductionmentioning

confidence: 99%

“…Scholars have reported that the material basis of DSS against atherosclerosis was paeoniflorin, ferulic acid, and Poria acid, and the material basis of DSS against senile dementia are ferulic acid, A. macrocephala I, gallic acid, etc. ( Wu et al, 2020 ; Bi et al, 2021 ). Nevertheless, for hundreds of years, due to the complexity of the components and internal mechanisms of DSS, tremendous efforts have been made to reveal the active components and pharmacological mechanisms of DSS, but it still has not been effectively solved.…”

Section: Introductionmentioning

confidence: 99%

Integrated Serum Pharmacochemistry, Metabolomics, and Network Pharmacology to Reveal the Material Basis and Mechanism of Danggui Shaoyao San in the Treatment of Primary Dysmenorrhea

Xiong

Zhao

et al. 2022

Front. Pharmacol.

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Danggui Shaoyao San (DSS), a well-known formula, has been successfully applied in treating primary dysmenorrhea (PD) in China. However, its material basis and mechanism are still unrevealed. This current research aims to reveal the material basis and mechanism of DSS in treating PD by an integrative approach of serum pharmacochemistry, metabolomics, and network pharmacology. The results showed that DSS markedly relieved the physiological and pathological symptoms of PD as confirmed by the improvement of writhing behavior, inhibition of uterine edema, callback of clinical biochemical indexes, and metabolic profiles. Furthermore, a metabolomic analysis demonstrated that the therapeutic effect of DSS was attributed to the modulation of arachidonic acid metabolism, pentose and glucuronate interconversions, and phenylalanine metabolism. Meanwhile, 23 blood ingredients were identified after the oral administration of DSS. By analyzing the correlation coefficient of the identified biomarkers and blood components, active compounds closely associated with core metabolic pathways were extracted. Taking these active compounds as a basis, network pharmacology prediction was executed. It was found that active components of DSS including alisol B,23-acetate, chlorogenic acid, levistilide A, cianidanol, senkyunolide A, atractylenolide II, and sedanolide, were germane to steroid hormone biosynthesis, arachidonic acid metabolism, sphingolipid signaling pathway, etc. Interestingly, PTGS2 and PTGS1 related to the arachidonic acid metabolism may be pivotal targets of DSS. The current study proved that the integration of serum pharmacochemistry, metabolomics, and network pharmacology, was a powerful approach to investigate the material basis and the molecular mechanisms of DSS, and provided a solid basis for DSS application.

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Systems pharmacological study based on UHPLC-Q-Orbitrap-HRMS, network pharmacology and experimental validation to explore the potential mechanisms of Danggui-Shaoyao-San against atherosclerosis

Cited by 18 publications

References 41 publications

Using network pharmacology to explore the mechanism of Danggui-Shaoyao-San in the treatment of diabetic kidney disease

Using network pharmacology to explore the mechanism of Danggui-Shaoyao-San in the treatment of diabetic kidney disease

Mathematical algorithm–based identification of the functional components and mechanisms in depression treatment: An example of Danggui-Shaoyao-San

Integrated Serum Pharmacochemistry, Metabolomics, and Network Pharmacology to Reveal the Material Basis and Mechanism of Danggui Shaoyao San in the Treatment of Primary Dysmenorrhea

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