Vasodilatory constituents of essential oil from Nardostachys jatamansi DC.: Virtual screening, experimental validation and the potential molecular mechanisms

Xue, Bian-Xia; Liu, Si-Xia; Oduro, Patrick Kwabena; Mireku-Gyimah, Nana Ama; Zhang, Lihua; Wang, Qilong; Wu, Hong‐Hua

doi:10.1016/j.arabjc.2023.104911

Cited by 3 publications

(6 citation statements)

References 45 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Another interesting phenomenon was observed that, in the samples with the lower relativecontent of nardosinone (P18), the relative contents of desoxo-narchinol A (P5) and nardosinonediol (P10) were more likely higher than those in other samples. As reported in our recent study [17], nardosinone (P18) is prone to degrading into desoxo-narchinol A (P5), nardosinonediol (P10), 2-deoxokanshone L (P9), and other products. As shown in the Fig.…”

Section: Evaluation Of the Anti-neuroin Ammatory Potentials The Major...supporting

confidence: 54%

“…The combination of several methods enabled a mutual veri cation of the spectrum-effect correlation analysis between pharmacodynamic indices and chromatographic peaks, enhancing the credibility of these e cacy-associated compounds selected out of the constituents in the NJ_1A. The detailed principles and procedures of GCA and PLSR can be checked in our previous research [17].…”

Section: 'Spectrum-anti-neuroin Ammatory Effect' Correlationmentioning

confidence: 99%

“…Other solvents used for this work were of analytical grade, and were purchased from Concord Technology Co., Ltd., Tianjin, China. Chlorogenic acid, caffeic acid, desoxo-narchinol A, 2deoxokanshone L, nardosinonediol, nardonoxide, isonardosinone, nardoaristolone B, 1-hydroxylaristolone, debilone, nardosinone, kanshone H and (-)-aristolone were prepared in our lab with UPLC purities of above 98% [16][17][18][19]. Essential oil was extracted using Clevenger-type apparatus (Shanghai Leigu Instrument Co., Ltd., China); DE-100g/650W herbal medicine shredder (Ruian Baixin Pharmaceutical Machinery Co., Ltd., China) was used to pulverize NJ materials.…”

Section: Chemicals Reagents Cells and Apparatusesmentioning

confidence: 99%

“…NJ_3 dissolved in ethyl acetate (1:500, v/v), was subjected to GC-MS analysis following the reported methods using the same chromatographic condition in one of our previous studies [17].…”

Section: Gc-ms Analysismentioning

confidence: 99%

“…In addition, it can be observed that the relative content of P18 (nardosinone) was negatively correlated to those of most common peaks except for P19 (kanshone H) and P20 (aristolone). Our previous work has demonstrated that nardosinone is unstable and is prone to a ring-opening reaction, occurring with the major degradation products, including P9 (2-deoxokanshone L), P5 (desoxo-narchinol A), P10 (nardosinonediol), and P12 (isonardosinone) [17]. This intrinsic degradation in nardosinone can explain reasonably the signi cant negative correlations from P18 to P5 (-0.51), P9 (-0.64), P10 (-0.34), and P12 (-0.48).…”

Section: Correlation Between the Uplc-pda Ngerprints And The Anti-neu...mentioning

confidence: 99%

See 4 more Smart Citations

Quality markers based on chromatographic fingerprinting and anti-neuroinflammatory screening: A spectrum–effect correlation for Nardostachys jatamansi DC. with anti-neuroinflammatory potential

Xue,

Liu,

Duan

et al. 2024

Preprint

Self Cite

View full text Add to dashboard Cite

Backgroud Nardostachys jatamansi DC. (NJ) has long been prescribed to treat neurodegenerative diseases, including Alzheimer’s disease and Parkinson’s disease, in traditional Chinese medicine and other orient ethnomedicinal systems. However, the anti-neuroinflammatory components and the quality markers (Q-markers) underlying NJ remained unclear. Objective and design This study aimed to reveal the Q-markers of NJ in treating neuroinflammation-related diseases by developing ‘spectrum–anti-neuroinflammatory effect’ correlation for NJ against neuroinflammation. Methods First, a Griess method was applied to evaluate the anti-neuroinflammatory potentials of common NJ extracts and components, discovering the dominant anti-neuroinflammatory component of NJ (NJ_1A). The spectrum–effect correlation of NJ_1A was then accomplished by Pearson’s correlation, GCA, and PLSR modeling between the UPLC–PDA fingerprints and the inhibitory rates of batches of NJ_1A on NO production in BV-2 cells. Finally, the potentially effective constituents were screened and their anti-neuroinflammatory potentials were further verified. Results The fingerprint similarity of NJ_1A as well as the content of nardosinone would gradually decrease along with the prolongation of the NJ storage time. Ten promising anti-neuroinflammatory-correlated peaks were screened accordingly by the spectrum–effect correlation of NJ_1A. And seven of them were identified and validated to exert varying degrees of anti-neuroinflammatory effect. Finally, nardosinone, desoxo-narchinol A, and nardosinonediol stood out to be the major active constituents and key Q-markers for NJ_1A in treatment of neuroinflammation. Conclusion The current study demonstrated that spectrum–effect correlation was a powerful approach to investigate the active components dedicated for the anti-neuroinflammation underlying NJ, and provided a solid basis for the Q-markers of NJ against neurodegenerative diseases.

show abstract

Section: Evaluation Of the Anti-neuroin Ammatory Potentials The Major...supporting

confidence: 54%

Section: 'Spectrum-anti-neuroin Ammatory Effect' Correlationmentioning

confidence: 99%

Section: Chemicals Reagents Cells and Apparatusesmentioning

confidence: 99%

“…NJ_3 dissolved in ethyl acetate (1:500, v/v), was subjected to GC-MS analysis following the reported methods using the same chromatographic condition in one of our previous studies [17].…”

Section: Gc-ms Analysismentioning

confidence: 99%

Section: Correlation Between the Uplc-pda Ngerprints And The Anti-neu...mentioning

confidence: 99%

See 3 more Smart Citations

Quality markers based on chromatographic fingerprinting and anti-neuroinflammatory screening: A spectrum–effect correlation for Nardostachys jatamansi DC. with anti-neuroinflammatory potential

Xue,

Liu,

Duan

et al. 2024

Preprint

Self Cite

View full text Add to dashboard Cite

show abstract

Ethnopharmacologically important highly subsidized Indian medicinal plants: Systematic review on their traditional uses, phytochemistry, pharmacology, quality control, conservation status and future prospective

Anmol,

Aggarwal,

Sharma

et al. 2024

Journal of Ethnopharmacology

View full text Add to dashboard Cite

Global Profiling of the Antioxidant Constituents in Chebulae Fructus Based on an Integrative Strategy of UHPLC/IM-QTOF-MS, MS/MS Molecular Networking, and Spectrum-Effect Correlation

Wang,

Xu,

Zhang

et al. 2023

Antioxidants

Self Cite

View full text Add to dashboard Cite

An integrative strategy of UHPLC/IM-QTOF-MS analysis, MS/MS molecular networking (MN), in-house library search, and a collision cross-section (CCS) simulation and comparison was developed for the rapid characterization of the chemical constituents in Chebulae Fructus (CF). A total of 122 Constituents were identified, and most were phenolcarboxylic and tannic compounds. Subsequently, 1,3,6-tri-O-galloyl-β-d-glucose, terflavin A, 1,2,6-tri-O-galloyl-β-d-glucose, punicalagin B, chebulinic acid, chebulagic acid, 1,2,3,4,6-penta-O-galloyl-β-d-glucose, and chebulic acid, among the 23 common constituents of CF, were screened out by UPLC-PDA fingerprinting and multivariate statistical analyses (HCA, PCA, and OPLS-DA). Then, Pearson’s correlation analysis and a grey relational analysis were performed for the spectrum-effect correlation between the UPLC fingerprints and the antioxidant capacity of CF, which was finally validated by an UPLC-DPPH• analysis for the main antioxidant constituents. Our study provides a global identification of CF constituents and contributes to the quality control and development of functional foods and preparations dedicated to CF.

show abstract

Vasodilatory constituents of essential oil from Nardostachys jatamansi DC.: Virtual screening, experimental validation and the potential molecular mechanisms

Cited by 3 publications

References 45 publications

Quality markers based on chromatographic fingerprinting and anti-neuroinflammatory screening: A spectrum–effect correlation for Nardostachys jatamansi DC. with anti-neuroinflammatory potential

Quality markers based on chromatographic fingerprinting and anti-neuroinflammatory screening: A spectrum–effect correlation for Nardostachys jatamansi DC. with anti-neuroinflammatory potential

Ethnopharmacologically important highly subsidized Indian medicinal plants: Systematic review on their traditional uses, phytochemistry, pharmacology, quality control, conservation status and future prospective

Global Profiling of the Antioxidant Constituents in Chebulae Fructus Based on an Integrative Strategy of UHPLC/IM-QTOF-MS, MS/MS Molecular Networking, and Spectrum-Effect Correlation

Contact Info

Product

Resources

About