Comprehensive evaluation integrating omics strategy and machine learning algorithms for consistency of calculus bovis from different sources

Li, Xinyue; Yao, Yaqi; Chen, Mei‐Ling; Ding, Haoran; Liang, Chenrui; Lv, Ling; Zhao, Huan; Zhou, Guanru; Luo, Zhanglong; Li, Yubo; Zhang, Han

doi:10.1016/j.talanta.2021.122873

Cited by 13 publications

(4 citation statements)

References 34 publications

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“…The bile was filtered through gauze and then prefrozen at − 80°C for 12 h. All samples were lyophilized in a vacuum freeze-dryer (EYELA, TOKYO RIKAKIKAI CO., LT D, FDU-2110) for 48 h. Approximately 5 mg of bile powder was weighed and extracted by ultrasonication for 45 min with a mixed solvent (water containing 1% formic acid mixed with methanol in a volume ratio of 5:95). The solution was fixed in a 10 mL volumetric flask, mixed well, and filtered through a microporous membrane (0.22 μM) before use ( Li et al, 2022 ). All bile samples were mixed to obtain a quality control sample (QC).…”

Section: Methodsmentioning

confidence: 99%

An integrated strategy combining metabolomics and machine learning for the evaluation of bioactive markers that differentiate various bile

Liang²,

Su³

et al. 2022

Front. Chem.

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Animal bile is an important component of natural medicine and is widely used in clinical treatment. However, it is easy to cause mixed applications during processing, resulting in uneven quality, which seriously affects and harms the interests and health of consumers. Bile acids are the major bioactive constituents of bile and contain a variety of isomeric constituents. Although the components are structurally similar, they exhibit different pharmacological activities. Identifying the characteristics of each animal bile is particularly important for processing and reuse. It is necessary to establish an accurate analysis method to distinguish different types of animal bile. We evaluated the biological activity of key feature markers from various animal bile samples. In this study, a strategy combining metabolomics and machine learning was used to compare the bile of three different animals, and four key markers were screened. Quantitative analysis of the key markers showed that the levels of Glycochenodeoxycholic acid (GCDCA) and Taurodeoxycholic acid (TDCA) were highest in pig bile; Glycocholic acid (GCA) and Cholic acid (CA) were the most abundant in bovine and sheep bile, respectively. In addition, four key feature markers significantly inhibited the production of NO in LPS-stimulated RAW264.7 macrophage cells. These findings will contribute to the targeted development of bile in various animals and provide a basis for its rational application.

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Section: Methodsmentioning

confidence: 99%

An integrated strategy combining metabolomics and machine learning for the evaluation of bioactive markers that differentiate various bile

Liang²,

Su³

et al. 2022

Front. Chem.

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“…For ADME prediction, it has been used in studies of rutin ( Liu et al, 2021a ), cardioplegia capsules ( Guo et al, 2018 ), and Chrysoeriol ( Liu et al, 2021b ) to screen bioactive compounds and reveal PK properties. In terms of deep machine learning, it has been used to design drug targets and new drug discovery now commonly combine machine learning and deep learning algorithms to improve the efficiency and quality of the development output ( Zeng et al, 2022 , Li et al, 2022b , He et al, 2019 ). Similar strategies applied in classical Chinese herbal formulas ( Yang et al, 2020 ), pediatric poria granules ( Guo et al, 2020 ) and gentian violet ( Wang et al, 2021a ).…”

Section: Frontier Approaches and Technologies For Pharmacodynamic Sub...mentioning

confidence: 99%

Unraveling the mystery of efficacy in Chinese medicine formula: New approaches and technologies for research on pharmacodynamic substances

Lin

Wang

et al. 2022

Arabian Journal of Chemistry

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“…Artificial C. bovis is a kind of artificial substitute; its production process is simple, and the price is less than 0.5% of natural C. bovis to a certain extent to meet the needs of ordinary people. At present, the illegal coloring and adulteration of artificial C. bovis by unscrupulous traders in the market is a serious phenomenon 3 . It is necessary to improve the existing standards to ensure market order and medication safety.…”

Section: Introductionmentioning

confidence: 99%

“…At present, the illegal coloring and adulteration of artificial C. bovis by unscrupulous traders in the market is a serious phenomenon. 3 It is necessary to improve the existing standards to ensure market order and medication safety. In vitro cultivated C. bovis is through the simulation of the principle and environment of the formation of natural C. bovis, the use of physical and biochemical methods to make cattle bile to generate calcium ox bilirubin stones.…”

mentioning

confidence: 99%

Quality study of animal‐derived traditional Chinese medicinal materials based on spectral technology: Calculus bovis as a case

Tian,

Han,

et al. 2024

Phytochemical Analysis

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IntroductionCalculus bovis (C. bovis) is a typical traditional Chinese medicine (TCM) derived from animals, which has a remarkable curative effect and high price.ObjectivesRapid identification of C. bovis from different types was realized based on spectral technology, and a rapid quantitative analysis method for the main quality control indicator bilirubin was established.MethodsWe conducted a supervised and unsupervised pattern recognition study on 44 batches of different types of C. bovis by five spectral pretreatment methods. Three variable selection methods were used to extract the essential information, and the partial least squares regression (PLSR) quantitative model of bilirubin by near‐infrared (NIR) spectroscopy was constructed.ResultsThe partial least squares discriminant analysis (PLS‐DA) model could achieve 100% accuracy in identifying different types of C. bovis. The R2 of the NIR quantitative model was 0.979, which is close to 1, and the root mean square error of calibration (RMSEC) was 2.3515, indicating the good prediction ability of the model.ConclusionThe study was carried out to further improve the basic data of quality control of C. bovis and help the high‐quality development of TCM derived from animals.

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Comprehensive evaluation integrating omics strategy and machine learning algorithms for consistency of calculus bovis from different sources

Cited by 13 publications

References 34 publications

An integrated strategy combining metabolomics and machine learning for the evaluation of bioactive markers that differentiate various bile

An integrated strategy combining metabolomics and machine learning for the evaluation of bioactive markers that differentiate various bile

Unraveling the mystery of efficacy in Chinese medicine formula: New approaches and technologies for research on pharmacodynamic substances

Quality study of animal‐derived traditional Chinese medicinal materials based on spectral technology: Calculus bovis as a case

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