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一种结合等温滴定量热法和数据库查询来解析丹红注射液作用机制的新范式模型的建立。

Development of a new paradigm model for deciphering action mechanism of Danhong injection using a combination of isothermal shift assay and database interrogation.

作者信息

Wang Tianxiang, Yang Changmei, Tang Yuxiang, Wen Ke, Ma Yuxin, Chen Yuling, Li Zhiqiang, Zhao Yujiao, Zhu Songbiao, Meng Xianbin, Du Sijing, Miao Zelong, Wei Wei, Deng Haiteng

机构信息

MOE Key Laboratory of Bioinformatics, Center for Synthetic and Systematic Biology, School of Life Sciences, Tsinghua University, Beijing, 100084, People's Republic of China.

Chinese Institutes for Medical Research, Beijing, China.

出版信息

Chin Med. 2024 Oct 5;19(1):136. doi: 10.1186/s13020-024-01017-6.

Abstract

BACKGROUND

Identification of active components of traditional Chinese Medicine (TCM) and their respective targets is important for understanding the mechanisms underlying TCM efficacy. However, there are still no effective technical methods to achieve this.

METHODS

Herein, we have established a method for rapidly identifying targets of a specific TCM and interrogating the targets with their corresponding active components based on Isothermal Shift Assay (iTSA) and database interrogation.

RESULTS

We optimized iTSA workflow and identified 110 targets for Danhong injection (DHI) which is used as an effective remedy for cardiovascular and cerebrovascular diseases. Moreover, we identified the targets of the nine major ingredients found in DHI. Database interrogation found that the potential targets for DHI, in which we verified that ADK as the target for salvianolic acid A and ALDH1B1 as the target for protocatechualdehyde in DHI, respectively.

CONCLUSION

Overall, we established a novel paradigm model for the identification of targets and their respective ingredients in DHI, which facilitates the discovery of drug candidates and targets for improving disease management and contributes to revealing the underlying mechanisms of TCM and fostering TCM development and modernization.

摘要

背景

鉴定中药活性成分及其各自靶点对于理解中药疗效的潜在机制至关重要。然而,目前仍缺乏有效的技术方法来实现这一目标。

方法

在此,我们基于等温位移分析(iTSA)和数据库查询,建立了一种快速鉴定特定中药靶点并将靶点与其相应活性成分进行比对的方法。

结果

我们优化了iTSA工作流程,鉴定出用于治疗心脑血管疾病的丹红注射液(DHI)的110个靶点。此外,我们还鉴定了丹红注射液中九种主要成分的靶点。通过数据库查询,我们发现了丹红注射液的潜在靶点,其中分别验证了ADK是丹红注射液中丹酚酸A的靶点,ALDH1B1是原儿茶醛的靶点。

结论

总体而言,我们建立了一种鉴定丹红注射液靶点及其各自成分的新型范式模型,这有助于发现改善疾病管理的候选药物和靶点,为揭示中药潜在机制、促进中药发展和现代化做出贡献。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/cf1f/11452974/356098b85030/13020_2024_1017_Fig1_HTML.jpg

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