Screening bioactive compounds from Danggui-shaoyao-san for treating sodium retention in nephrotic syndrome using bio-affinity ultrafiltration

Yang, Mo; Ni, Lianghou; Wang, Yunlai; Xuan, Zihua; Wu, Huan; Zhan, Wenjing; Wan, Xinyu; Wang, Jinghui; Xu, Fan

doi:10.1016/j.jep.2022.115171

Cited by 5 publications

(7 citation statements)

References 28 publications

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“…In previous studies, different analytical methods for the chemical constituent composition of DSS have been established. One is the utilization of HPLC‐DAD‐ESI‐MS/MS to characterize 41 compounds (Chen et al, 2009), and the other is the utilization of UPLC‐MS combined with bioaffinity ultrafiltration to screen uPA/plasmin affinity compounds from DSS (Yang et al, 2022). Compared with the two aforementioned methods, the current research not only used UPLC‐MS technology with advantages such as high throughput, high sensitivity, and high accuracy for expeditious component identification in DSS but also can integrate pattern recognition method to rapidly mine potential bioactive components following the theory of serum pharmacochemistry.…”

Section: Resultsmentioning

confidence: 99%

High‐throughput UPLC‐Q‐TOF‐MS/MS coupled with multivariable data processing approach for the rapid screening and characterization of chemical constituents and potential bioactive compounds from Danggui Shaoyao San

Li¹,

Yu²,

Cui³

et al. 2022

Biomedical Chromatography

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Danggui Shaoyao San (DSS), a herbal formula, has been widely used for decades in China to treat senile dementia and dysmenorrhea. Here, an integrative high‐throughput UPLC‐Q‐TOF‐MS/MS method coupled with a multivariable data processing approach was established for rapidly screening and identifying chemical constituents and potential bioactive compounds from DSS. Through the comparison with mass fragment ions, relevant literature, and in‐house reference material database coupled with MS cleavage mechanism, 150 chemical constituents, mainly including triterpenoids, flavonoids, phathalides, and organic acids, were tentatively characterized. Most of them were identified for the first time. Then, principal component analysis was used to evaluate the differences in chemical profiles between groups, whereas the variable importance of the projection (VIP) spectrum (VIP > 1) and the trend plot of orthogonal partial least squares discriminant analysis were applied to intuitively screen the candidate variables present only in the dosed group. Consequently, by comparison with all the characterized components in vitro, 23 potential bioactive compounds were successfully identified, comprising 5 triterpenoids, 4 phathalides, 4 flavonoids, 4 organic acids, 3 lactones, and 3 other compounds, which were present in various medicinal materials, reflecting a synergistic mechanism. This work developed a rapid, reliable, and robust approach for comprehensive characterization of the chemical components and potential bioactive compounds of DSS, providing solid data for further research on pharmacodynamic substances and pharmacological mechanisms of DSS.

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Section: Resultsmentioning

confidence: 99%

High‐throughput UPLC‐Q‐TOF‐MS/MS coupled with multivariable data processing approach for the rapid screening and characterization of chemical constituents and potential bioactive compounds from Danggui Shaoyao San

Li¹,

Yu²,

Cui³

et al. 2022

Biomedical Chromatography

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“…Likewise, tannin types like pentagalloyl glucoside and bromwoplasmin were proven to have noticeable uPA inhibition effects, 15,25,47 which corroborate the hemostatic potential of the selected tannin, BCA, from A. australis.…”

Section: Potential Upa Ligand Inhibition Validationmentioning

confidence: 53%

“…The docking simulations of these ligands within the active site of upA revealed their good insertion within the receptor pocket of the target, with lower BE values than the positive drug TXA. In addition, all of them shared similar interactions as known powerful uPA inhibitors toward the key catalyst residues including His99, Leu97, Thr97, Gly216, Cys220, Ser195, Gly219, Leu97, Cys191, Gly216, Ser214, and His57 15,47,48 . The great intercalation within the uPA receptor pocket may reflect their probable mode of action in inhibiting the function of this target.…”

Section: Resultsmentioning

confidence: 86%

“…In addition, all of them shared similar interactions as known powerful uPA inhibitors toward the key catalyst residues including His99, Leu97, Thr97, Gly216, Cys220, Ser195, Gly219, Leu97, Cys191, Gly216, Ser214, and His57. 15,47,48 The great intercalation within the uPA receptor pocket may reflect their probable mode of action in inhibiting the function of this target.…”

Section: Molecular Docking Analysismentioning

confidence: 99%

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Potential hemostatic compounds targeting urokinase plasminogen activator explored from three Euphorbiaceae species: Euphorbia maculata, Euphorbia humifusa, and Acalypha australis, with bio‐affinity ultrafiltration UPLC‐MS

Fan

Chen

2023

Phytochemical Analysis

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IntroductionNumerous species of the Euphorbiaceae family, including Euphorbia maculata, Euphorbia humifusa, and Acalypha australis, have been used to manage bleeding disorders. However, few investigations have demonstrated their hemostatic potential, and their procoagulant compounds remain elusive.ObjectiveThis study aimed to determine the most active procoagulant extracts from the three species' crude extract (CE) and fractions in order to screen out the active compounds and to analyze their possible mechanisms of action.MethodsAn integrative approach, comprising prothrombin time and activated partial thromboplastin time evaluations and urokinase‐type plasminogen activator (uPA) inhibitory assessment, followed by bio‐affinity ultrafiltration paired with UPLC/QTOF‐MS targeting uPA and docking simulations, was used.ResultsThe extracts with highest procoagulant activity were the CE for both E. maculata (EMCE) and E. humifusa (EHCE) and the n‐butanol fraction (NB) for A. australis (AANB). The most promising ligands, namely, isoquercetin, orientin, rutin, and brevifolin carboxylic acid, were selected from these lead extracts. All of these compounds exhibited pronounced specific binding values to the uPA target and showed tight intercalation with the crucial side chains forming the uPA active pocket, which may explain their mode of action. The activity validation substantiated their hemostatic effectivity in inhibiting uPA as they had better inhibition constant (Ki) values than the reference drug tranexamic acid.ConclusionCollectively, the integrative strategy applied to these three species allowed the elucidation of the mechanisms underlying their therapeutic effects on bleeding disorders, resulting in the fast detection of four potential hemostatic compounds and their mode of action.

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“…Especially, Liu et al (2012) found that DSS has the renal protective effects on STZ-induced diabetic rats. And Yang et al (2022) screened bioactive compounds from DSS for treating sodium retention in nephrotic syndrome and found that 1,2,3,4,6-O-pentagalloylglucose is a potential bioactive ingredient responsible for the effect of DSS on natriuresis. However, the bioactive components and molecular mechanisms of DSS as related to DKD remained unclear due to the limited research.…”

Section: Introductionmentioning

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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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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Screening bioactive compounds from Danggui-shaoyao-san for treating sodium retention in nephrotic syndrome using bio-affinity ultrafiltration

Cited by 5 publications

References 28 publications

High‐throughput UPLC‐Q‐TOF‐MS/MS coupled with multivariable data processing approach for the rapid screening and characterization of chemical constituents and potential bioactive compounds from Danggui Shaoyao San

High‐throughput UPLC‐Q‐TOF‐MS/MS coupled with multivariable data processing approach for the rapid screening and characterization of chemical constituents and potential bioactive compounds from Danggui Shaoyao San

Potential hemostatic compounds targeting urokinase plasminogen activator explored from three Euphorbiaceae species: Euphorbia maculata, Euphorbia humifusa, and Acalypha australis, with bio‐affinity ultrafiltration UPLC‐MS

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

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