Targeted screening of multiple anti-inflammatory components from Flos by ligand fishing with affinity UF-LC/MS.

Flos (CIF) has been commonly consumed for the treatment of inflammation and related skin diseases. However, the potential bioactive components responsible for its anti-inflammatory and sensitive skin (SS) improvement activities, and the correlated mechanisms of action still remain unknown. In this work, it was firstly found that the CIF extract (CIFE) displayed arrestive free radical scavenging activity on DPPH and ABTS radicals, with no significant difference with positive control Trolox ( > 0.

Cytotoxic indole diterpenoids and rare pyridoxatin atropisomers from the endophytic fungus Tolypocladium sp. SHJJ1.

Phytochemical investigation on the extract of endophytic fungus Tolypocladium sp. SHJJ1 resulted in the identification of a pair of previously undescribed pyridoxatin atropisomers [1 (M/P)] and three new indole diterpenoids (3-5), together with a pair of known pyridoxatin atropisomers [2 (M/P)] and ten known indole diterpenoids (6-15). Their structures, including their absolute configurations were elucidated by extensive spectroscopic analysis, quantum chemical calculations, and X-ray diffraction.

Material basis and core chemical structure of Dendrobium officinale polysaccharides against colitis-associated cancer based on anti-inflammatory activity.

It has been claimed that Dendrobium officinale polysaccharides (PSs) can degrade into oligosaccharide and then transform into short-chain fatty acids in the intestine after oral administration, and play an anti-colitis-associated cancer (CAC) effect by inhibiting intestinal inflammation. However, the material basis and core chemical structure underlying the anti-colon cancer properties of PSs have not yet been elucidated. In this study, PSs were degraded into enzymatic oligosaccharides (OSs) using β-mannanase.

Serum and colon metabolomics study reveals the anti-ulcerative colitis effect of Croton crassifolius Geisel.

Background: Croton crassifolius Geisel (CCG, also known as Ji-Gu-Xiang in Traditional Chinese Medicine), is traditionally prescribed for the therapy of rheumatic arthritis and gastrointestinal ulcer. However, the effect of CCG on ulcerative colitis (UC) has not been investigated.

Purpose: To explore the therapeutic potential and underlying mechanism of CCG extract against UC by colonic and serum metabolomics.

Butyrolactone and sesquiterpene derivatives as inhibitors of iNOS from the roots of Lindera glauca.

Nine previously undescribed butyrolactone and sesquiterpene derivatives, named cyclopentanone A (1), subamolides F and G (2 and 3), secosubamolide F (4), rupestonic acids J - L (5-7), linderaguaianols A and B (8 and 9), together with six known ones 10-15 were isolated from the roots of Lindera glauca. Their structures, including their absolute configurations were elucidated by extensive spectroscopic analysis, quantum chemical calculations, and Mo(AcO)-induced circular dichroism. Compound 1 that possessed a unique five-membered cyclopentane skeleton with a side chain was rarely found from natural sources.

Furanasperterpenes A and B, two meroterpenoids with a novel 6/6/6/6/5 ring system from the marine-derived fungus Aspergillus terreus GZU-31-1.

Furanasperterpenes A (1) and B (2) with a novel 6/6/6/6/5 pentacyclic skeleton and a new 11-acetoxy-terretonin E (3), were isolated from the marine-derived Aspergillus terreus GZU-31-1. Their structures were elucidated based on spectroscopic methods, and the absolute configurations were determined by X-ray diffraction and electronic circular dichroism (ECD) calculations. A possible biogenetic pathway was proposed.

UPLC/Q-TOF-MS/MS-based metabolomics revealed the lipid-lowering effect of Ilicis Rotundae Cortex on high-fat diet induced hyperlipidemia rats.

Ethnopharmacological Relevance: Ilicis Rotundae Cortex (IRC), a Chinese crude drug, has been widely utilized in Guangdong and Guangxi provinces of China to treat or prevent cardiovascular diseases.

Aim Of Study: This investigation aims to study the lipid-lowering effect of IRC, as well as the regulating effect on the endogenous metabolites in hyperlipidemia rats.

Materials And Methods: High-fat diet induced hyperlipidemia rats were administrated with different doses of IRC extract (0.

New polyketides and diterpenoid derivatives from the fungus Penicillium sclerotiorum GZU-XW03-2 and their anti-inflammatory activity.

Two new compounds, named penisclerotiorin A (1) and diaporthein C (8), and a new natural product, penidepsidone A (4), together with five known compounds (2, 3, 5-7) were isolated from the fungus Penicillium sclerotiorum GZU-XW03-2. Their structures were assigned using spectroscopic methods, quantum chemical calculations, and single-crystal X-ray diffraction analysis. Penisclerotiorin A (1) that belongs to the highly oxidized diphenyl ether is rare found in natural sources, and it was the sixth example of highly oxidized diphenyl ether analogues in natural sources.

Aspermeroterpenes A-C: Three Meroterpenoids from the Marine-Derived Fungus GZU-31-1.

Aspermeroterpene A () with an unprecedented and highly congested 5/3/6/6/6/5 hexacyclic skeleton, together with two precursors aspermeroterpenes B () and C (), were isolated from the marine-derived fungus GZU-31-1. Their structures were elucidated by quantum chemical calculations, X-ray diffraction, and spectroscopic methods. The biogenetic pathway for - is proposed.

Pseudoguaianelactones A-C: three unusual sesquiterpenoids from Lindera glauca with anti-inflammatory activities by inhibiting the LPS-induced expression of iNOS and COX-2.

The pseudoguaianelactones A (1) and B (2), two novel sesquiterpene lactones with an unprecedented [5,7,7] ring system featuring an α-methylene-γ-lactone moiety, together with a new pseudoguaianelactone C (3) were isolated from the roots of Lindera glauca. Pseudoguaianelactones A-C (1-3) inhibited nitric oxide (NO) production, with IC values ranging from 1.38 to 4.

Effects of Gut Microbiota and Ingredient-Ingredient Interaction on the Pharmacokinetic Properties of Rotundic Acid and Pedunculoside.

Rotundic acid and pedunculoside are the most abundant constituents in Ilicis Rotundae Cortex, and possess lipid-lowering activity. In this study, we evaluated the pharmacokinetic interactions of rotundic acid with pedunculoside and other ingredients from Ilicis Rotundae Cortex with rotundic acid and pedunculoside, and preliminarily investigated the effects of gut microbiota on their pharmacokinetics using a pseudo-germ-free rat model. After a single oral administration of each monomer, a monomer mixture, and Ilicis Rotundae Cortex extract to the conventional and pseudo-germ-free rats, rotundic acid and pedunculoside were quantified in plasma by an UPLC/Q-TOF-MS/MS method.

Cytochalasins and polyketides from the fungus Diaporthe sp. GZU-1021 and their anti-inflammatory activity.

Four new compounds: diaporthichalasins A-C (1-3) and biatriosporin N (7), along with six known compounds (4-6 and 8-10) were separated from the culture of the fungus Diaporthe sp. GZU-1021. The absolute configurations of 1-3 were determined by quantum chemical calculations, X-ray diffraction, and spectroscopic analysis.

Caesalminaxins O-T, cassane diterpenoids from the seeds of Caesalpinia minax and their anti-inflammation.

Six previously undescribed cassane diterpenoids, named caesalminaxins O-T (1-6), together with 28 known compounds (7-34), were isolated from the seeds of Caesalpinia minax Hance. Their structures, including their absolute configurations were elucidated by extensive spectroscopic analysis, X-ray diffraction, and quantum chemical calculations. Among the undescribed diterpenoids, compound 6 that possessed an unusual enol group at C-7 with a highly deshielded H NMR signal was the first example in cassane diterpenoids.

The therapeutic effect of Ilex pubescens extract on blood stasis model rats according to serum metabolomics.

Ethnopharmacological Relevance: Ilex pubescens Hook. et Arn (MDQ), a traditional Chinese herb, is used in the treatment of cardiovascular diseases. However, the mechanisms underlying the preventive effect of MDQ on blood stasis remain unclear.

Rapid profiling and pharmacokinetic studies of multiple potential bioactive triterpenoids in rat plasma using UPLC/Q-TOF-MS/MS after oral administration of Ilicis Rotundae Cortex extract.

Triterpenoids, the major bioactive ingredients of Ilicis Rotundae Cortex, contributes a significant cardiovascular protection activity. Although many studies about the total saponins have been reported, the absorption triterpenoids and pharmacokinetic behaviors were unclear. Thus, the present study aims to comprehensive elucidate the absorption triterpenoids and their pharmacokinetics in rats after oral administration the crude extract using UPLC/Q-TOF-MS/MS.

A facile and selective approach to the qualitative and quantitative analysis of triterpenoids and phenylpropanoids by UPLC/Q-TOF-MS/MS for the quality control of Ilex rotunda.

Ilex rotunda, in which triterpenoids and phenylpropanoids are major bioactive constituents, has been widely used in traditional Chinese medicines. In this study, a validated UPLC/Q-TOF-MS/MS method was developed to simultaneously identify and quantify the triterpenoids and phenylpropanoids in the stem bark, fruit, leaves, roots and stem xylem of this herbal medicine. A total of seventy triterpenoids and twelve phenylpropanoids were identified with the assistance of the modified mass defect filter and key product ion filter data processing strategies, and forty-eight of them were confirmed by reference substances.

catena-Poly[[aqua-[3-(3-pyrid-yl)acrylato]gadolinium(III)]-bis-[μ-3-(3-pyrid-yl)acrylato]].

In the title compound, [Gd(C(8)H(6)NO(2))(3)(H(2)O)](n), the gadolinium(III) ion is coordinated by eight carboxyl-ate O atoms and one water mol-ecule. The carboxyl-ate ligands bridge pairs of gadolinium(III) ions, forming a zigzag chain along [100]. Hydrogen bonds link the chains into sheets parallel to (001).

Poly[[μ(3)-3-(3-pyrid-yl)acrylato-κN:O:O'][μ(2)-3-(3-pyrid-yl)acrylato-κO,O':O][μ(2)-3-(3-pyrid-yl)acrylato-κO:O')]gadolinium(III)].

In the title compound, [Gd(C(8)H(6)NO(2))(3)](n), the Gd(III) ion is in a bicapped trigonal prismatic coordination environment formed by seven O atoms and one N atom, derived from seven different 3-(3-pyrid-yl)acrylate (3-PYA) ligands. Gd(III) ions are bridged by bidentate and tridentate 3-PYA ligands, resulting in a two-dimensional structure.

catena-Poly[[diaqua-manganese(II)]-di-μ-pyridine-3-sulfonato-κN:O;κO:N].

In the title polymeric complex, [Mn(C(5)H(4)NO(3)S)(2)(H(2)O)(2)](n), the Mn atom is located on a centre of inversion and is coordinated by two O atoms and two N atoms derived from four different pyridine-3-sulfonate (pySO(3)) ligands, and two O atoms derived from two water mol-ecules in a distorted trans-N(2)O(4) octa-hedral geometry. The metal atoms are bridged by the pySO(3) ligands to form a one-dimensional chain. The chains are further connected into a three-dimensional architecture via hydrogen bonds.

catena-Poly[[diaquacadmium(II)]bis-(μ-pyridine-3-sulfonato)-κN:O;κO:N].

In the title polymeric complex, [Cd(C(5)H(4)NO(3)S)(2)(H(2)O)(2)](n), the Cd atom is located on a centre of inversion and is coordinated by two O atoms and two N atoms, derived from four different pyridine-3-sulfonate ligands, and two O atoms derived from two water mol-ecules, forming a distorted trans-N(2)O(4) octa-hedral geometry. The topology of the polymer is a one-dimensional chain mediated by bridging pyridine-3-sulfonate anions. These are connected into a three-dimensional architecture via hydrogen bonds.