Recently I am researching about MASS-SPECTROMETRY; FATTY-ACIDS; A-D; LIQUID-CHROMATOGRAPHY; KINASE INHIBITOR; FRUITING BODY; IDENTIFICATION; ANTIOXIDANT; HANABIRATAKE; METABOLITES, Saw an article supported by the Key Projects of Scientific Research Program of Beijing Municipal Commission of Education [KZ201811417049]. Computed Properties of C8H6O2. Published in MDPI in BASEL ,Authors: Wang, ZX; Liu, JY; Zhong, XJ; Li, JJ; Wang, X; Ji, LL; Shang, XY. The CAS is 87-41-2. Through research, I have a further understanding and discovery of Isobenzofuran-1(3H)-one
Sparassis crispa 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 S. crispa. Through the summarized MS/MS fragmentation patterns of reference compounds and systematic identification strategy, a total of 110 components attributed to six categories were identified for the first time. Moreover, allergic rhinitis (AR) is a worldwide inflammatory disease seriously affecting human health, and the development of drugs to treat AR has been a topic of interest. It has been reported that the extracts of S. crispa showed obvious inhibitory effects on degranulation of mast cell- and allergen-induced IgE and proinflammatory mediators, but the active components and specific mechanism were still not clear. Src family kinases (SFKs) participate in the initial stage of allergy occurrence, which are considered the targets of AR treatment. Herein, on the basis of that self-built chemical database, virtual screening was applied to predict the potential SFKs inhibitors in S. crispa, using known crystal structures of Hck, Lyn, Fyn, and Syk as receptors, followed by the anti-inflammatory activity evaluation for screened hits by intracellular calcium mobilization assay. As results, sparoside A was directly confirmed to have strong anti-inflammatory activity with an IC50 value of 5.06 +/- 0.60 mu M. This study provides a useful elucidation for the chemical composition of S. crispa, and demonstrated its potential inhibitory effects on AR, which could promote the research and development of effective agents from natural resources.
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Reference:
Benzofuran – Wikipedia,
,Benzofuran | C8H6O – PubChem