Systematic Screening of Chemical Constituents in the Traditional Chinese Medicine Arnebiae Radix by UHPLC-Q-Exactive Orbitrap Mass Spectrometry

Zhu, Lian; Ma, Shumei; Li, Kailin; Xiong, Pei; Qin, Shihan; Cai, Wei

doi:10.3390/molecules27092631

Cited by 15 publications

(9 citation statements)

References 36 publications

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“…Caffeic acid oligomers consist of ester-bonded monomers such as danshensu, caffeic acid, and others and are present in Lamiaceae species [ 19 , 20 , 21 ]. Based on the accurate masses, MS/MS data, and literature data, a dimer rosmarinic acid ( 29 ), two trimers ( 27 and 30 ), and two tetramers ( 28 and 31 ) were dereplicated in the studied S. scardica extract.…”

Section: Resultsmentioning

confidence: 99%

A Comprehensive Phytochemical Analysis of Sideritis scardica Infusion Using Orbitrap UHPLC-HRMS

Zheleva-Dimitrova,

Voynikov,

Gevrenova

et al. 2023

Molecules

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Sideritis scardica Griseb, also known as “mountain tea” and “Olympus tea” (Lamiaceae family) is an endemic plant from the mountainous regions of the Balkan Peninsula. In this study, we focused on an in-depth phytochemical analysis of S. scardica infusion using ultra-high-performance liquid chromatography hyphenated with high-resolution mass spectrometry (UHPLC–HRMS). Quantitative determination of the main secondary metabolites was carried out by UHPLC–HRMS analyses using the external standard method. The results revealed more than 100 metabolites, including five sugar acids and saccharides, 21 carboxylic, hydroxybenzoic, hydroxycinnamic acids, and derivatives, 15 acylquinic acids, 10 phenylpropanoid glycosides, four iridoid glycosides, 28 flavonoids, seven fatty acids, and four organosulfur compounds. Furthermore, a dereplication and fragmentation patterns of five caffeic acids oligomers and four acylhexaric acids was performed for the first time in S. scardica. Regarding the quantitative analysis, the phenylethanoid verbascoside (53) (151.54 ± 10.86 mg/g lyophilized infusion, li), the glycosides of isoscutellarein (78) (151.70 ± 14.78 mg/g li), methylisoscutelarein (82) (107.4 ± 9.07 mg/g li), and hypolaetin (79) (78.33 ± 3.29 mg/g li), as well as caffeic acid (20) (87.25 ± 6.54 mg/g li), were found to be the major compounds in S. scardica infusion. The performed state-of-the-art phytochemical analysis of S. scardica provides additional knowledge for the chemical constituents and usage of this valuable medicinal plant.

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Section: Resultsmentioning

confidence: 99%

A Comprehensive Phytochemical Analysis of Sideritis scardica Infusion Using Orbitrap UHPLC-HRMS

Zheleva-Dimitrova,

Voynikov,

Gevrenova

et al. 2023

Molecules

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show abstract

“…Moreover, the standards of malic acid, citric acid, caffeic acid, rutin, quercetin, isoquercitrin, salvianolic acid B, rosmarinic acid, and salvianolic acid C were used to verify the accuracy of compound identification. Eventually, a total of 21 compounds were identified by matching fragment ions in references ( Zhu et al., 2022 ) or by searching in the databases such as chemical structure database (ChemSpider) and MS 2 database (mzVault and mzCloud).…”

Section: Resultsmentioning

confidence: 99%

Screening and characterization estrogen receptor ligands from Arnebia euchroma (Royle) Johnst. via affinity ultrafiltration LC-MS and molecular docking

Zhu

Ma²,

Liu³

et al. 2022

Front. Plant Sci.

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Arnebiae Radix (dried root of Arnebia euchroma (Royle) Johnst.) is a traditional Chinese medicine (TCM) used to treat macular eruptions, measles, sore throat, carbuncles, burns, skin ulcers, and inflammations. The Arnebiae Radix extract can exert anti-breast cancer effects through various mechanisms of action. This study aimed to rapidly screen potential estrogen receptor (estrogen receptor α and estrogen receptor β) ligands from the Arnebiae Radix extract. In this study, an analytical method based on affinity ultrafiltration coupled with UHPLC-Q-Exactive Orbitrap mass spectrometry was established for rapidly screening and identifying estrogen receptor ligands. Then, bindings of the components to the active site of estrogen receptor (estrogen receptor α and estrogen receptor β) were investigated via molecular docking. Moreover, surface plasmon resonance (SPR) experiments with six compounds were performed to verify the affinity. As a result, a total of 21 ligands were screened from Arnebiae Radix using affinity ultrafiltration. Among them, 14 and 10 compounds from Arnebiae Radix showed affinity with estrogen receptor α and estrogen receptor β, respectively. All of those ligands could have a good affinity for the multiple amino acid residues of the estrogen receptor based on molecular docking. In addition, six compounds display the great affinity by SPR. The method established in the study could be used to rapidly screen estrogen receptor ligands in Traditional Chinese medicine. The results demonstrated that the affinity ultrafiltration–UHPLC-Q-Exactive Orbitrap mass spectrometry method not only aids in the interpretation of the potential bioactive components and possible mechanisms of action of Arnebiae Radix but also provides a further effective basis for the quality control of this valuable herb medicine.

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“…Arnebiae radix has been used in China for more than two thousand years for clearing heat and cooling the blood , activating blood , detoxification, and elimination of rashes and spots [ [11] , [12] , [13] , [14] ]. It is a typical representative drug used for cooling and activation of blood, and for detoxification of psoriasis; it is vital for psoriasis therapy.…”

Section: Introductionmentioning

confidence: 99%

Shikonin-loaded PLGA nanoparticles: A promising strategy for psoriasis treatment

Fu,

You,

Sun

et al. 2024

Heliyon

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Systematic Screening of Chemical Constituents in the Traditional Chinese Medicine Arnebiae Radix by UHPLC-Q-Exactive Orbitrap Mass Spectrometry

Cited by 15 publications

References 36 publications

A Comprehensive Phytochemical Analysis of Sideritis scardica Infusion Using Orbitrap UHPLC-HRMS

A Comprehensive Phytochemical Analysis of Sideritis scardica Infusion Using Orbitrap UHPLC-HRMS

Screening and characterization estrogen receptor ligands from Arnebia euchroma (Royle) Johnst. via affinity ultrafiltration LC-MS and molecular docking

Shikonin-loaded PLGA nanoparticles: A promising strategy for psoriasis treatment

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