The spectrum-effect relationship—a rational approach to screening effective compounds, reflecting the internal quality of Chinese herbal medicine

Zhu, Chunsheng; Lin, Zhijian; Xiao, Ming-Liang; Hongjuan, Niu; Zhang, Bing

doi:10.1016/s1875-5364(16)30014-0

Cited by 48 publications

(45 citation statements)

References 37 publications

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“…A positive coefficient indicates that it is positively correlated with the enzyme activity, while a negative number indicates that it is negatively correlated with the enzyme activity. The IC 50 for XO activity increased with increasing peak areas of 3,4,7,10,11,16,17,18,20,21,23,24,25,26,27,28, and 30, indicating that this component group was positively correlated with XO inhibitory activity and that peaks 1,2,5,6,8,9,12,13,14,15,19,22,31,32, and 33 were negatively correlated with their inhibitory activities ( Figure 6). Variable importance in projection (VIP) scores is important indicators that reflect the ability of independent variables to explain dependent variables.…”

Section: Plsr Analysis Resultsmentioning

confidence: 98%

“…These methods enable rapid analysis, complement their respective advantages, and can be used to comprehensively evaluate the quality of L. lucidum. GRA showed that the main components responsible for the XO inhibitory activity of L. lucidum might be characteristic peaks 1,2,4,5,6,7,8,9,11,12,14,15,16,17,20,21,23,25,27,28,29,31,32, and 33. PLS analysis showed that peaks 1, 2, 4, 5, 6, 7, 14, 17, 22, 24, 25, 28, 31, F I G U R E 6 Effect coefficient of each chromatographic peak on the xanthine oxidase inhibitory activity F I G U R E 7 VIP contribution of each characteristic peak to the antioxidant activity of Ligustrum lucidum and 33 had significant effects on the XO inhibitory activity.…”

Section: Plsr Analysis Resultsmentioning

confidence: 99%

“…The gray relational grade is shown in 4,25,26,27,28,29, and 30 was greater than 0.8, indicating that they had a relatively significant effect on the XO activity. Components 1,2,3,5,6,7,8,9,10,11,12,14,15,16,17,18,19,20,21,22,23,24,31,32, and 33 all had correlation degrees greater than 0.7, indicating a significant effect on the XO activity. Combined with the data in the table, it can be seen that the inhibitory activities of characteristic peaks 1,2,4,5,6,7,8,9,11,12,14,15,16,17,20,21,23,25,27,28,29,…”

Section: F I G U R E 3 Cluster Analysis Of the Ligustrum Lucidum Extrmentioning

confidence: 98%

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Study on the spectrum‐effect relationship of the xanthine oxidase inhibitory activity of Ligustrum lucidum

Gao

Chen

Zhou

2019

J of Separation Science

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To evaluate the xanthine oxidase inhibitory activity of the chemical constituents of Ligustrum lucidum in vitro, the spectrum‐effect relationship was investigated. The high‐performance liquid chromatography fingerprint was established by ultraviolet spectrophotometry, and the xanthine oxidase inhibitory activity was tested in vitro by a high‐throughput screening method. Cluster analysis, principal component analysis, gray correlation analysis, and partial least squares regression were used to explore the spectrum‐effect relationships. Sixty batches of Ligustrum lucidum were collected from 16 provinces for testing. The results revealed differences among the batches of medicinal materials, and the similarity score was between 0.635 and 0.968. Thirty‐three characteristic peaks (1–33) were calibrated by fingerprint evaluation software for traditional Chinese medicine. The spectrum‐effect relationship study further revealed that the contents of peaks 1, 2, 4, 5, 6, 7, 14, 17, 25, 28, 31, and 33, which are potentially critical ingredients for quality control of Ligustrum lucidum fruit, were highly correlated with the inhibition of xanthine oxidase activity.

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Section: Plsr Analysis Resultsmentioning

confidence: 98%

Section: Plsr Analysis Resultsmentioning

confidence: 99%

Section: F I G U R E 3 Cluster Analysis Of the Ligustrum Lucidum Extrmentioning

confidence: 98%

See 1 more Smart Citation

Study on the spectrum‐effect relationship of the xanthine oxidase inhibitory activity of Ligustrum lucidum

Gao

Chen

Zhou

2019

J of Separation Science

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Section: Introductionmentioning

confidence: 99%

“…Traditional Chinese medicine (TCM), as the treasure of the Chinese nation, has been further revealed and widely recognized by international society due to its high pharmacological activities with low toxicity and rare complications in clinic [1][2][3]. Chinese medicinal materials, unlike chemical synthe-Article Related Abbreviations: BBR, berberine; CFP, chromatographic fingerprint; CGA, caffeic acid; DAD, diode array detector; FA, ferulic acid; GA, gallic acid; LICF, latent information characteristic parameters; LQ, liquiritin; PMT, pamatin; RFP, reference fingerprint; SFP, sample fingerprint; SQFM, systematic quantified fingerprint method; TCM, Traditional Chinese Medicine; ZSASP, Zhusha Anshen Pill.…”

Section: Introductionmentioning

confidence: 99%

HPLC determination of digital fingerprint and reliability of Zhusha Anshen Pills

Zhang

Lan

et al. 2019

Separation Science Plus

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In this paper, we aimed to establish Zhusha Anshen Pills chromatogram fingerprint and evaluate it comprehensively with the of traditional Chinese medicine fingerprint evaluation system. The total information index TQ of chromatographic fingerprint was used to optimize the high‐performance liquid chromatography test conditions, and berberine was used as the reference peak to establish the high‐performance liquid chromatography digital fingerprint of Zhusha Anshen Pills. The latent information characteristics of Zhusha Anshen Pills high‐performance liquid chromatography fingerprint were mined by software, and the quality of samples was controlled within the limit of ±15% of the technical parameters of reference fingerprint. The systematic quantified fingerprint method, the normalized chromatographic fingerprint and the reliability evaluation were also used as multiple controls for Zhusha Anshen Pills. Whether the control of latent information characteristic parameters, systematic quantified fingerprint method or reliability control, they all showed that S1 was significantly different from other batches on the whole, but different from others on the details. Compared with other methods, systematic quantified fingerprint method classification is more clearly, accurate, simple to operate and reliability. It is a worthy quality evaluation method for traditional Chinese medicine.

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Screening anaphylactoid components of Shuang Huang Lian Injection by analyzing spectrum–effect relationships coupled with UPLC–TOF–MS

Feng

Jing

et al. 2018

Biomedical Chromatography

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Shuang Huang Lian Injection (SHLI) has been used in China for over 30 years as an effective and widely used Chinese herbal prescription to treat acute respiratory infectious. SHLI has, however, caused many severe anaphylactoid reactions. It is important to identify the potential anaphylactoid components of SHLI. Spectrum-effect relationships were used to explore potentially anaphylactoid components. Based on the original herbal formula, honeysuckle, Fructus Forsythiae and Radix Scutellariae extracts were prepared and combined in appropriate proportions. The preparations were then injected into the caudal vein of rats to obtain in vivo serum samples for pharmacological evaluation and fingerprint analysis. The release rate of β-hexosaminidase from RBL-2H cells and plasma histamine level was used as the pharmacological index. Chromatographic fingerprint analysis identified 22 common peaks. Regression analysis and correlation analysis were used to calculate the relationships between the peaks and the pharmacological effects and identified peaks 5, 6, 11, 12 and 17 as likely anaphylactoid agents. The correlated peaks were identified by comparing the fingerprints with in vitro samples and reference standard samples and the structure was identified by UPLC-TOF-MS. This study established a prospective method to clarify the anaphylactoid components in SHLI, which would provide guidances for screening anaphylactoid components in other traditional Chinese medicine injections.

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The spectrum-effect relationship—a rational approach to screening effective compounds, reflecting the internal quality of Chinese herbal medicine

Cited by 48 publications

References 37 publications

Study on the spectrum‐effect relationship of the xanthine oxidase inhibitory activity of Ligustrum lucidum

Study on the spectrum‐effect relationship of the xanthine oxidase inhibitory activity of Ligustrum lucidum

HPLC determination of digital fingerprint and reliability of Zhusha Anshen Pills

Screening anaphylactoid components of Shuang Huang Lian Injection by analyzing spectrum–effect relationships coupled with UPLC–TOF–MS

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