Spectrum-effect relationship between HPLC fingerprint and antioxidant of “San-Bai Decoction” extracts

Xiao, Yaoyao; Shan, Xiaoxiao; Wang, Haixuan; Hong, Bangzhen; Ge, Zongrui; Ma, Jihao; Li, Yaqing; Zhao, Yong; Ma, Ge-Fei; Zhang, Caiyun

doi:10.1016/j.jchromb.2022.123380

Cited by 18 publications

(8 citation statements)

References 31 publications

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“…Since the correlation values of P7, P8, P4, P5 and P10 were all greater than 0.8, it can be inferred that the active ingredients represented by these 5 common peaks could have a stronger relevance with the TYR inhibition effect. By comparison, the correlation value of peak 6 was less than 0.6, indicating a weak relevance with the TYR inhibition effect [ 22 ]. As seen in Table 3 , the correlation from high to low was P7 > P8 > P4 > P5 > P10 > P2 > P11 > P9 > P1 > P3 > P6.…”

Section: Resultsmentioning

confidence: 99%

Screening of Key Components for Melanogenesis Inhibition of Polygonum cuspidatum Extract Based on the Spectrum–Effect Relationship and Molecular Docking

Du,

Ye,

Chen

et al. 2024

Molecules

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Polygonum cuspidatum (PC) extract has been listed in the “Catalog of Used Cosmetic Ingredients (2021 Edition)”, which can inhibit melanogenesis, thus exerting a whitening effect, and has been widely used in cosmetics. However, there are currently no quality standards for PC extract used in cosmetics, and the bioactive components associated with anti-melanogenesis remain unclear. In view of this, the present study was the first to investigate the spectrum-effect relationship between fingerprints of PC extract and melanogenesis inhibition. Ten batches of PC extract fingerprints were established by HPLC. Pearson’s correlation analysis, gray correlation analysis (GRA) and orthogonal partial least squares regression analysis (OPLSR) were used to screen out resveratrol, emodin and physcion as the main whitening active ingredients using the inhibition of tyrosinase in B16F10 cells as the pharmacological index. Then, the melanogenesis inhibitory effects of the above three components were verified by tyrosinase inhibition and a melanin content assay in B16F10 cells. The interaction between small molecules and proteins was investigated by the molecular docking method, and it was confirmed by quantitative real-time PCR (qRT-PCR) that resveratrol, emodin and physcion significantly down-regulated the transcript levels of melanogenesis-related factors. In conclusion, this study established a general model combining HPLC fingerprinting and melanogenesis inhibition and also analyzed the spectrum–effect relationship of PC extract, which provided theoretical support for the quality control of PC extract in whitening cosmetics.

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Section: Resultsmentioning

confidence: 99%

Screening of Key Components for Melanogenesis Inhibition of Polygonum cuspidatum Extract Based on the Spectrum–Effect Relationship and Molecular Docking

Du,

Ye,

Chen

et al. 2024

Molecules

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“…Fourteen batches of I. ilicifolia samples (S1–S14) were subjected to HPLC analyses under optimized conditions to give the corresponding chromatograms, which were then loaded into “Chromatographic Fingerprint Evaluation System for Traditional Chinese Medicine (2012 version)”, software recommended by the National Administration of China (Xiao, Shan, et al, 2022). With the HPLC chromatogram of sample S1 set as the reference fingerprint, the fingerprints of the remaining samples S2–S14 were automatically matched via the median multipoint correction method, generating the control fingerprint with 17 common chromatographic peaks.…”

Section: Methodsmentioning

confidence: 99%

“…The whole process was performed based on Microsoft Excel software with resolution coefficient set as 0.5. Xiao, Shan, et al (2022).…”

Section: Methodsmentioning

confidence: 99%

“…The 17 common peak areas in fingerprints were defined as independent variables X , and the antioxidant capacity as dependent variable Y . The correlation analysis between the X matrix and Y was performed by PLSR with a regression coefficient to predict the quality of regression model (Xiao, Shan, et al, 2022). The variable importance in projection (VIP) was employed to evaluate the contribution of X n to Y .…”

Section: Methodsmentioning

confidence: 99%

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Qualitative and quantitative method for quality control of Itea ilicifolia based on antioxidant Q‐markers

Feng

Zhang

Yang

et al. 2023

Biomedical Chromatography

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Itea ilicifolia Oliv is a folk medicine with antioxidant potential. In this study, the fingerprints of 14 batches of I. ilicifolia were established by HPLC with 17 common peaks.The similarities evaluated by Similarity Evaluation System for Chromatographic Fingerprint of Chinese Materia (version 2012) were >0.89. Ten compounds were identified with definite structures by comparing the retention time and characteristic UV spectral pattern with those of reference substances. The antioxidant capacities of 14 batches of I. ilicifolia were evaluated based on O 2 ÁÀ , DPPH and ABTS Á+ radical scavenging assays in combination with ferric reducing antioxidant power assay. Via multivariate statistical analyses of gray relation analysis, bivariate correlation analysis and partial least squares regression analysis, a study on the spectrum-effect relationship was then performed to screen eight peaks as the antioxidant Q-markers of I. ilicifolia. The contents of representative antioxidant Q-markers (isoorientin, orientin, vitexin, isovitexin and iteafuranal A) in samples were accurately determined to be 0.

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“…The experiment was performed according to the procedure described by Xiao et al (2022) . Briefly, 2 mL of the DPPH free radical solution (0.04 g/L in 75% methanol) and 2 mL of the blank solvent were mixed in the test tube, and allowed to react in the dark for 30 min.…”

Section: Methodsmentioning

confidence: 99%

Research on the quality markers of antioxidant activity of Kai-Xin-San based on the spectrum–effect relationship

Shan,

Yang,

et al. 2023

Front. Pharmacol.

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Background: Kai-Xin-San (KXS) is one of the classic famous traditional Chinese medicine prescriptions for amnesia, which has been applied for thousands of years. Modern pharmacological research has found that KXS has significant therapeutic efficacy on nervous system diseases, which is related to its antioxidant activity. However, the antioxidant material basis and quality markers (Q-makers) of KXS have not been studied. Objective: The objective of this study is to explore the Q-makers of antioxidant activity of KXS based on spectrum-effect relationship.Methods: Specifically, the metabolites in KXS extracts were identified by UPLC-Q-Exactive Orbitrap MS/MS. The fingerprint profile of KXS extracts were established by high-performance liquid chromatography (HPLC) and seven common peaks were identified. Meanwhile, 2, 2-diphenyl-1-picrylhydrazyl (DPPH) test was used to evaluate the free radical scavenging ability of KXS. The spectrum-effect relationship between its HPLC fingerprint and DPPH free radical scavenging activity was preliminarily examined by the Pearson correlation analysis, grey relation analysis (GRA), and orthogonal partial least squares discrimination analysis (OPLS-DA). Further, the antioxidant effect of KXS and its Q-makers were validated through human neuroblastoma (SH-SY5Y) cells experiment.Results: The results showed that 103 metabolites were identified from KXS, and the similarity values between HPLC fingerprint of twelve batches of KXS were greater than 0.900. At the same time, the results of Pearson correlation analysis showed that the peaks 8, 1, 14, 17, 18, 24, 16, 21, 15, 13, 6, 5, and 3 from KXS were positively correlated with the scavenging activity values of DPPH. Combined with the results of GRA and OPLS-DA, peaks 1, 3, 5 (Sibiricose A6), 6, 13 (Ginsenoside Rg1), 15, and 24 in the fingerprints were screen out as the potential Q-makers of KXS for antioxidant effect. Besides, the results of CCK-8 assay showed that KXS and its Q-makers remarkably reduced the oxidative damage of SH-SY5Y cells caused by H2O2. However, the antioxidant activity of KXS was decreased significantly after Q-makers were knocked out.Conclusion: In conclusion, the metabolites in KXS were successfully identified by UPLC-Q-Exactive Orbitrap MS/MS, and the Q-makers of KXS for antioxidant effect was analyzed based on the spectrum-effect relationship. These results are beneficial to clarify the antioxidant material basis of KXS and provide the quality control standards for new KXS products development.

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Spectrum-effect relationship between HPLC fingerprint and antioxidant of “San-Bai Decoction” extracts

Cited by 18 publications

References 31 publications

Screening of Key Components for Melanogenesis Inhibition of Polygonum cuspidatum Extract Based on the Spectrum–Effect Relationship and Molecular Docking

Screening of Key Components for Melanogenesis Inhibition of Polygonum cuspidatum Extract Based on the Spectrum–Effect Relationship and Molecular Docking

Qualitative and quantitative method for quality control of Itea ilicifolia based on antioxidant Q‐markers

Research on the quality markers of antioxidant activity of Kai-Xin-San based on the spectrum–effect relationship

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