Discovery of hepatoprotective activity components from Thymus quinquecostatus celak. by molecular networking, biological evaluation and molecular dynamics studies.

Thymus quinquecostatus Celak. is an edible herb that widely cultivated in Asia and possesses hepatoprotective activity, but the underlying non-volatile components of this protective activity are not well studied. In this study, combining molecular networking visualization and bioassay-guided fractionation strategies, a pair of novel skeleton diterpenoid enantiomers, (+)- and (-)-thymutatusone A [(+)- and (-)-1], along with one new and one known biogenetically related compounds (2-3) and 16 other known compounds (4-19), were identified from T.

Biotransformation and metabolism of three methyl salicylate glycosides by gut microbiota in vitro.

MSTG-A, MSTG-B and Gualtherin are three natural methyl salicylate glycosides isolated from Dianbaizhu (Gaultheria leucocarpa var. yunnanensis), which is a traditional Chinese folk medicine widely used for the treatment of rheumatoid arthritis. They share the same mother nucleus with aspirin, exhibit similar activity and have fewer side effects.

Relationship between gut microbiota and rheumatoid arthritis: A bibliometric analysis.

Introduction: Rheumatoid arthritis (RA) is a multifactorial autoimmune disease. Recently, growing evidence demonstrates that gut microbiota (GM) plays an important role in RA. But so far, no bibliometric studies pertaining to GM in RA have ever been published.

- combined with in the treatment of liver cancer: Chemical analysis using UPLC-LTQ-Orbitrap MS, network analysis, and experimental assessment.

- (CR-SR) is a traditional botanical drug pair that can promote blood circulation, remove blood stasis, and treat tumors in clinics. The aim of the present study was to investigate the therapeutic material basis and potential mechanisms of CR-SR, CR, and SR for the treatment of liver cancer. The chemical profile analyses of CR-SR, CR, and SR were performed by molecular networking and UPLC-LTQ-Orbitrap MS.

Similarities and differences between Ziqin and Kuqin in anti-inflammatory, analgesic, and antioxidant activities and their core chemical composition based on the zebrafish model and spectrum-effect relationship.

Ethnopharmacological Relevance: Scutellaria baicalensis (SB) is a traditional Chinese medicine (TCM). In the clinical application of TCM, SB has been divided into two specifications (Ziqin and Kuqin) for a long time. At present, the Chinese Pharmacopoeia Commission no longer distinguishes between the two.

2,5-Diketopiperazines: A Review of Source, Synthesis, Bioactivity, Structure, and MS Fragmentation.

Background: 2,5-Diketopiperazines (DKPs), also called cyclic dipeptides, are the simplest peptide derivatives in nature that are formed by the condensation of two amino acids. They are an important category of bioactive substances with various structures.

Objective: This review focuses on the natural sources, synthetic processes, biological properties and MS fragmentation regularity of simple DKPs, in order to provide a reference for exploring future scientific and therapeutic potentials of these compounds.

Three new ursane-type triterpenoids from Rosmarinus officinalis and their biological activities.

Three new ursane-type triterpenoids, 3-oxours-12-en-20, 28-olide (1), 3β-hydroxyurs-12-en-20, 28-olide (2) and 3β-hydroxyurs-11, 13(18)-dien-20, 28-olide (3), were isolated from a potent anti-inflammatory and antibacterial fraction of the ethanolic extract of Rosmarinus officinalis. Their structures were elucidated by a combination of extensive 1D- and 2D-NMR experiments, MS data and comparisons with literature reports. Compounds 1-3 exhibited significantly inhibitory effects on nitric oxide production in lipopolysaccharide-activated mouse RAW264.

Intestinal metabolism and absorption mechanism of multi-components in Gaultheria leucocarpa var. yunnanensis - An assessment using in situ and in vitro models, comparing gut segments in pathological with physiological conditions.

Ethnopharmacological Relevance: Dianbaizhu (Gaultheria leucocarpa var. yunnanensis) as a Chinese folk medicine exerts significant treatment effects on rheumatoid arthritis (RA) with a long historical time. Our previous reports showed that the anti-rheumatic arthritis fraction (ARF) extracted and enriched from Dianbaizhu possessed good druggability, which was better than its single active ingredients.

Norursane-type triterpenoids from Rosmarinus officinalis and their anti-inflammatory activity evaluation.

Five norursane-type triterpenoids, including three novel of 3β-28-norursa-12,17,19,21-tetraene-3-ol (1), 3β-28-norursa-12,20(30)-dien-3-ol (2) and 3β-28-norursa-12,16,20(30)-triene-3-ol (3), as well as two known 3β-28-norursa-17,19,21-trien-3-ol (4) and 3β-28-norursa-12-ene-3-ol (5) were isolated from the ethyl acetate dissolved fraction of the ethanol extract from Rosmarinus officinalis. Their structures were elucidated by HR-ESI-MS, IR, 1D- and 2D-NMR spectroscopic methods. Compounds 1-5 exhibited significant inhibitory effect on NO production in LPS-activated RAW264.

Secoiridoid glycosides from the fruits of .

Five new secoiridoid glycosides, cornusphenosides E-I (-), were isolated and characterized from an active fraction of ethanol extract of the fruits of . Their structures were determined by extensive spectroscopic data analysis, including 2 D NMR and HRESIMS experiments. In the preliminary assay, compound (when evaluated at 10 M) showed the neuroprotective effect against HO-induced SH-SY5Y cell damage.

Chemical characterization of a PD-1/PD-L1 inhibitory activity fraction of the ethanol extract from .

Searching for PD-1/PD-L1 inhibitor from medicinal plants has become a potential method to discover small molecular cancer immunotherapy drugs. Using PD-1/PD-L1 inhibitory activity assay , a bioactive fraction was obtained from the ethanol extract of . A sensitive UPLC-HRMS/MS method was established for the rapid screening and identification of compositions from bioactive fraction.

Chemical characterization of the polar antibacterial fraction of the ethanol extract from Rosmarinus officinalis.

Rosmarinus officinalis L. has been widely used as a spice to extend the shelf life of foods. Most studies in the literature indicate that its essential oil is its major antibacterial component.

Rapid Characterizaiton of Chemical Constituents of the Tubers of by UPLC-Orbitrap-MS/MS Analysis.

R. Br. is a traditional Tibetan medicinal plant that grows at altitudes above 3000 m, which is used to treat neurasthenia, asthma, coughs, and chronic hepatitis.

Rapid Characterization of Chemical Components in Edible Mushroom by UPLC-Orbitrap MS Analysis and Potential Inhibitory Effects on Allergic Rhinitis.

is a kind of edible fungus widely grows in the north temperate zone, which shows various medicinal properties. Due to the complexity of chemical constitutes of this species, few investigations have acquired a comprehensive configuration for the chemical profile of it. In this study, a strategy based on ultra-high performance liquid chromatography (UPLC) combined with Orbitrap mass spectrometer (MS) was established for rapidly characterizing various chemical components in .

Bioassay-Guided Isolation of Triterpenoids as -Glucosidase Inhibitors from .

() has a potential antihyperglycemic effect, but it is unclear what bioactive components play a key role. According to the -glucosidase inhibition activity, three new taraxastane-type triterpenoids of 3-hydroxy-30-hydroperoxy-20-taraxastene (), 3-hydroxy-22-methoxy-20-taraxastene (), and 30-nor-3,22-dihydroxy-20-taraxastene (), as well as five known taraxastane triterpenoids of 3,22-dihydroxy-20-taraxastene (), 20-taraxastene-3,22-dione (), 3-acetoxy-20-taraxasten-22-one (), 3-hydroxy-20-taraxasten-22-one (), and 30-nor-3-hydroxy-20-taraxastene () were obtained from the petroleum ether-soluble portion of the ethanol extract from . All chemical structures of the compounds were elucidated by spectroscopic data analysis and compared with literature data.

Sesquiterpenoids and Their Anti-Inflammatory Activity: Evaluation of .

Four new sesquiterpenoids (-) and six known sesquiterpenoids (-), were isolated from the EtOAc phase of the ethanolic extract of . Their structures were established by spectroscopic methods, including 1-D, 2-D NMR and HPLC-MS. All compounds were tested for their anti-inflammatory effect by the inhibition of the activity of NLRP3 inflammasome by blocking the self-slicing of pro-caspase-1, which is induced by nigericin, then the secretion of mature IL-1β, mediated by caspase-1, was suppressed.

New Iridoid Derivatives from the Fruits of and Their Neuroprotective Activities.

Three previously undescribed iridoids, cornusfurals A⁻C, were isolated from the ethanolic extracts of fruits of . Their structures were elucidated by spectroscopic methods, including one-dimensional and two-dimensional nuclear magnetic resonance, ultraviolet spectroscopy, infrared spectroscopy, and mass spectrometry. The neuroprotective activity was evaluated by measuring corticosterone-induced damage in PC12 cells.

Taraxastane-type triterpenoids from the medicinal and edible plant Cirsium setosum.

Guided by TNF-α secretion inhibitory activity assay, four taraxastane-type triterpenoids, including two new ones, 22-oxo-20-taraxasten-3β, 30-diol (1) and 22α-hydroxy-20-taraxasten-30β, 30-triol (2), have been obtained from an active fraction of the petroleum ether-soluble extract of the the medicinal and edible plant Cirsium setosum. Their structures were elucidated by spectroscopic data and CD data analysis. In the TNF-α secretion inhibitory activity assay, compounds 1 and 2 were active with the IC of 2.