Tentative identification of new metabolites of cnidilin by liquid chromatography–mass spectrometry

Huo, Haoli; Jia, Peipei; Zhang, Xiaoxu; Zhang, Zhiyong; Huang, Yang; Zhang, Qiaoyue; He, Shan; Zhang, Lantong

doi:10.1016/j.jchromb.2015.05.002

Cited by 8 publications

(5 citation statements)

References 10 publications

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“…(neutral loss of HCOOH) indicated the presence of the carboxyl group in the isopentenyl group. We determined that they were demethylated to carboxylic acid metabolites based on the previous reports (Huo et al, 2015). (Qiao et al, 2013 The diagnostic product ion at m/z 67.0563 was also obtained, indicating that M24 was a dehydrogen metabolite of cnidilin and the dehydrogen position was in the isopentenyl group located in the side chain (Song, Jin, Do, Cao, & Xu, 2016).…”

Section: Identification Of Metabolitesmentioning

confidence: 77%

“…In addition to the product ions at m/z 99.0450 (C 5 H 7 O 2 ) and 81.0341 (C 5 H 7 O 2 –H 2 O), m/z 53.0402 (neutral loss of HCOOH) indicated the presence of the carboxyl group in the isopentenyl group. We determined that they were demethylated to carboxylic acid metabolites based on the previous reports (Huo et al, ).…”

Section: Resultsmentioning

confidence: 99%

“…Cnidilin {9‐methoxy‐4‐[(3‐methylbut‐2‐en‐1‐yl)oxy]‐7H–furo[3,2‐g]chromen‐7‐one}, a coumarin compound, represents a major active constituent of Radix Angelicae Dahuricae . Previous research of rat metabolism of cnidilin had been conducted in our laboratory (Huo et al, ); a total of 18 metabolites were detected in the bile, urine and feces samples by an HPLC‐Q‐TRAP/MS method. Cnidilin was mainly transformed into oxidation and methylation metabolites and the metabolic patterns included oxidation, hydroxylation, deisopentenyl and combination with glucopyranoside.…”

Section: Introductionmentioning

confidence: 99%

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UHPLC‐Q‐TOF‐MS/MS‐based screening and characterization of metabolites of cnidilin in human liver microsomes

Lin

Zhang

Liao

et al. 2017

Biomedical Chromatography

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Cnidilin is an active natural furocoumarin ingredient originating from well-known traditional Chinese medicine Radix Angelicae Dahuricae. In the present study, an efficient approach was developed for the screening and identification of cnidilin metabolites using ultra-high-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry. In this approach, an on-line data acquisition method multiple mass defect filter combined with dynamic background subtraction was developed to trace all probable metabolites. Based on this analytical strategy, a total of 24 metabolites of cnidilin were detected in human liver microsomal incubation samples and the metabolic pathways were proposed. The results indicated that oxidation was the main biotransformation route for cnidilin in human liver microsomes. In addition, the specific cytochrome P450 (CYP) enzymes involved in the metabolism of cnidilin were identified using chemical inhibition and CYP recombinant enzymes. The results showed that CYP1A2 and CYP3A4 might be the major enzymes involved in the metabolism of cnidilin in human liver microsomes. The relationship between cnidilin and the CYP450 enzymes could provide us a theoretical basis of the pharmacological mechanism.

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Section: Identification Of Metabolitesmentioning

confidence: 77%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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UHPLC‐Q‐TOF‐MS/MS‐based screening and characterization of metabolites of cnidilin in human liver microsomes

Lin

Zhang

Liao

et al. 2017

Biomedical Chromatography

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“…The pMRM was carried out following a previously published procedure38 with a modified mass range of m/z 441–1255 for the Q1 cell. Because some saponins, such as licorice saponins, only exhibit [M−H] − ions rather than adduct ions in their MS spectra, an MIM scan was introduced, with an identical mass range as pMRM.…”

Section: Resultsmentioning

confidence: 99%

An Integrated Strategy for Global Qualitative and Quantitative Profiling of Traditional Chinese Medicine Formulas: Baoyuan Decoction as a Case

Guo

Song

et al. 2016

Sci Rep

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Clarification of the chemical composition of traditional Chinese medicine formulas (TCMFs) is a challenge due to the variety of structures and the complexity of plant matrices. Herein, an integrated strategy was developed by hyphenating ultra-performance liquid chromatography (UPLC), quadrupole time-of-flight (Q-TOF), hybrid triple quadrupole-linear ion trap mass spectrometry (Qtrap-MS), and the novel post-acquisition data processing software UNIFI to achieve automatic, rapid, accurate, and comprehensive qualitative and quantitative analysis of the chemical components in TCMFs. As a proof-of-concept, the chemical profiling of Baoyuan decoction (BYD), which is an ancient TCMF that is clinically used for the treatment of coronary heart disease that consists of Ginseng Radix et Rhizoma, Astragali Radix, Glycyrrhizae Radix et Rhizoma Praeparata Cum Melle, and Cinnamomi Cortex, was performed. As many as 236 compounds were plausibly or unambiguously identified, and 175 compounds were quantified or relatively quantified by the scheduled multiple reaction monitoring (sMRM) method. The findings demonstrate that the strategy integrating the rapidity of UNIFI software, the efficiency of UPLC, the accuracy of Q-TOF-MS, and the sensitivity and quantitation ability of Qtrap-MS provides a method for the efficient and comprehensive chemome characterization and quality control of complex TCMFs.

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“…Recently, a method based on a new linker, triarylphosphine functionalized trimethylpiperidine (TFT), for one-step selective enrichment of protein O-GlcNAcylation was reported. 100 The triarylphosphine functional group reacted with azide-containing O-GlcNAcylated proteins through the copper-free Staudinger ligation, and the trimethylpiperidine was specifically recognized by the anti-TMT antibody conjugated to agarose beads. The new reagent enabled the identification of 1706 O-GlcNAcylation sites in HeLa cells.…”

Section: O-gicnacmentioning

confidence: 99%

Recent Advances in Glycoproteomic Analysis by Mass Spectrometry

2019

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Glycosylation is one of the most common protein modifications and is essential for cells. This modification is exceptionally complex because glycans are highly diverse and can be covalently bound to several amino acid residues in proteins through various configurations. There are two major types of protein glycosylation, i.e., N-linked glycosylation in which glycans are attached to the side chain of asparagine and O-linked glycosylation referring to glycans being bound to the side chains of serine and threonine. 1,2 Glycosylation plays vital roles in cells, including determination of protein folding, trafficking and stability, and regulation of nearly every extracellular activity such as cell-cell communication and cellmatrix interactions. 3,4 Aberrant protein glycosylation is directly related to multiple diseases, including cancer, neurodegenerative disorders, pulmonary diseases, blood disorders, and genetic diseases. 5,6 Due to the importance and complexity of protein glycosylation in biological systems, there is a longstanding interest to develop innovative methods to study glycoproteins and apply them for biomedical research. Investigation of protein glycosylation has become more popular with the development of modern instrumentation and computational methods. According to a PubMed search using the keyword "glycosylation", 16 publications were listed during 1960-1970 while over 20 000 studies were reported in the past 10 years. With the growing interests in protein glycosylation, this trend is expected to continue in the next decades.Mass spectrometry (MS)-based proteomics provides an excellent opportunity to globally analyze proteins and their modifications. [7][8][9][10][11][12][13][14][15][16][17][18][19] Nonetheless, it is still extremely challenging to comprehensively analyze protein glycosylation. 20 Unlike many other modifications with a fixed structure for the modified group, such as phosphorylation, the diversity of glycans makes it more challenging to employ the commonly used database searching methods such as SEQUEST and Mascot to identify glycopeptides in bottom-up proteomics. Lowabundance glycoproteins in complex biological samples are also hindered for detection by many high-abundance nonglycoproteins. Furthermore, glycans can interfere with the fragmentation of the peptide backbone. 20,21 Innovative and effective methods are critical to overcome these hurdles and to allow for comprehensive analysis of glycoproteins using MS.

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Tentative identification of new metabolites of cnidilin by liquid chromatography–mass spectrometry

Cited by 8 publications

References 10 publications

UHPLC‐Q‐TOF‐MS/MS‐based screening and characterization of metabolites of cnidilin in human liver microsomes

UHPLC‐Q‐TOF‐MS/MS‐based screening and characterization of metabolites of cnidilin in human liver microsomes

An Integrated Strategy for Global Qualitative and Quantitative Profiling of Traditional Chinese Medicine Formulas: Baoyuan Decoction as a Case

Recent Advances in Glycoproteomic Analysis by Mass Spectrometry

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