Human gastrointestinal metabolism of the anti-rheumatic fraction of Dianbaizhu (Gaultheria leucocarpa var. yunnanensis) in vitro: Elucidation of the metabolic analysis in gastric juice, intestinal juice and human intestinal bacteria by UPLC-LTQ-Orbitrap-MSn and HPLC-DAD

Wang, Xiuhuan; Li, Xiao; Wang, Rufeng; Wang, Le; Fan, Shusheng; Wang, Xiaoping; Xu, Xiao; Yan, Xin; He, Ting; Ren, Xueyang; She, Gaimei

doi:10.1016/j.jpba.2019.112791

Cited by 10 publications

(10 citation statements)

References 21 publications

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“…For the UPLC-ESI-MS n experiment, most of the analysis conditions were consistent with the reported research of Wang et al (2019) , except for the gradient program and injection volume. The mobile phase system was made up of 0.1% formic acid–aqueous solution (A) and acetonitrile (B).…”

Section: Methodssupporting

confidence: 77%

“…In the negative ion mode, the chemical ingredients in ARF were rapidly identified by using UHPLC-LTQ-Orbitrap-MS n ; the identification method followed for the chemical constituents in ARF has been consistent with the previously reported method by Wang et al (2019) . The mass error threshold was fixed at ± 5 ppm.…”

Section: Resultssupporting

confidence: 64%

“…TZ Hsu and RC. Fang from Gaultheria Kalm ex L. (Ericaceae) ( Wang et al, 2019 ). Samples were authenticated by Professor Shengli Wei (Beijing University of Chinese Medicine).…”

Section: Methodsmentioning

confidence: 99%

“…The voucher specimens and herbs were deposited in the Chinese Materia Medica Chemistry laboratory (B417). ARF was prepared as previously described ( Wang et al, 2019 ). Briefly, the dried aerial parts of G. yunnanensis (17 kg) were extracted using 238-L 30% ethanol–water three times for 2 h each time by the thermal recycling extract method.…”

Section: Methodsmentioning

confidence: 99%

“…yunnanensis has been ascertained by screening activity and found to exhibit better activity than the above-mentioned singular effective constituents. The research group of this study demonstrated by simulating the gastrointestinal fluid and human gut bacteria models in vitro that ARF is relatively stable in the gastrointestinal tract ( Wang et al, 2019 ). The bioactive constituents and molecular mechanisms that underlie the effects of ARF against RA progression remain unclear.…”

Section: Introductionmentioning

confidence: 99%

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Gaultheria leucocarpa var. yunnanensis for Treating Rheumatoid Arthritis—An Assessment Combining Machine Learning–Guided ADME Properties Prediction, Network Pharmacology, and Pharmacological Assessment

et al. 2021

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Background: Dianbaizhu (Gaultheria leucocarpa var. yunnanensis), a traditional Chinese/ethnic medicine (TC/EM), has been used to treat rheumatoid arthritis (RA) for a long time. The anti–rheumatic arthritis fraction (ARF) of G. yunnanensis has significant anti-inflammatory and analgesic activities and is mainly composed of methyl salicylate glycosides, flavonoids, organic acids, and others. The effective ingredients and rudimentary mechanism of ARF remedying RA have not been elucidated to date.Purpose: The aim of the present study is to give an insight into the effective components and mechanisms of Dianbaizhu in ameliorating RA, based on the estimation of the absorption, distribution, metabolism, and excretion (ADME) properties, analysis of network pharmacology, and in vivo and in vitro validations.Study design and methods: The IL-1β–induced human fibroblast-like synoviocytes of RA (HFLS-RA) model and adjuvant-induced arthritis in the rat model were adopted to assess the anti-RA effect of ARF. The components in ARF were identified by using UHPLC-LTQ-Orbitrap-MSn. The quantitative structure–activity relationship (QSAR) models were developed by using five machine learning algorithms, alone or in combination with genetic algorithms for predicting the ADME properties of ARF. The molecular networks and pathways presumably referring to the therapy of ARF on RA were yielded by using common databases and visible software, and the experimental validations of the key targets conducted in vitro.Results: ARF effectively relieved RA in vivo and in vitro. The five optimized QSAR models that were developed showed robustness and predictive ability. The characterized 48 components in ARF had good biological potency. Four key signaling pathways were obtained, which were related to both cytokine signaling and cell immune response. ARF suppressed IL-1β–induced expression of EGFR, MMP 9, IL2, MAPK14, and KDR in the HFLS-RA .Conclusions: ARF has good druggability and high exploitation potential. Methyl salicylate glycosides and flavonoids play essential roles in attuning RA. ARF may partially attenuate RA by regulating the expression of multi-targets in the inflammation–immune system. These provide valuable information to rationalize ARF and other TC/EMs in the treatment of RA.

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Section: Methodssupporting

confidence: 77%

Section: Resultssupporting

confidence: 64%

“…TZ Hsu and RC. Fang from Gaultheria Kalm ex L. (Ericaceae) ( Wang et al, 2019 ). Samples were authenticated by Professor Shengli Wei (Beijing University of Chinese Medicine).…”

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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