Taxonomy-Driven Core Scaffold Expansion Strategy for Comprehensive Profiling of Secondary and In Vivo Metabolites of Raphani Semen and Study on Promoting Gastrointestinal Motility
4 affiliations
- 1College of Pharmacy, Jinan University, Guangzhou 511436, China
- 2Research Center for Traditional Chinese Medicine of Lingnan (Southern China), Jinan University, Guangzhou 511436, China
- 3National Engineering Research Center for Modernization of Traditional Chinese Medicine Lingnan Resources Branch, Guangzhou 511436, China
- 4Guangdong Key Laboratory of Information of Traditional Chinese Medicine, Guangzhou 511436, China
Abstract
Raphani Semen (RS) has two different application forms in the Chinese Pharmacopoeia (ChP): raw RS and stir-fried RS. However, the compounds of raw and stir-fried RS decoctions, in vivo metabolic pathways, and the effects on promoting gastrointestinal motility remain completely unclear. To address this, a Taxonomy-Driven Core Scaffold Expansion (TDCSE) strategy was developed to track compounds of raw and stir-fried RS decoctions and subsequent in vivo metabolic pathways. Then, a zebrafish model was used to evaluate the effect of raw and stir-fried RS decoctions on promoting gastrointestinal motility. Finally, through network pharmacology and molecular docking techniques, the potential targets and pathways of absorbed compounds were predicted. The results indicated that 26 compounds were detected in the stir-fried RS decoction. In addition to these 26 compounds, another 50 compounds were detected in the raw RS decoction. Moreover, a total of 123 metabolites (including prototypes) were detected after removing the duplications. A total of 18, 71, 59, and 4 metabolites were discovered in plasma, urine, feces, and liver tissue, respectively. Evaluation in a zebrafish model demonstrated that both raw RS and stir-fried RS decoctions possessed the effect of promoting gastrointestinal motility compared with the model group. The promoting gastrointestinal motility potential targets, PTGS2, TNF, PARP1, MTOR, etc., and the IL-17 pathway were predicted. Collectively, this study clarified the differences in compounds and in vivo metabolites of raw and stir-fried RS decoctions. It provided a reference for further investigation into the effect of promoting gastrointestinal motility of RS.
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BibTeX
@article{lan2026taxonomydriven,
title = {{Taxonomy-Driven Core Scaffold Expansion Strategy for Comprehensive Profiling of Secondary and In Vivo Metabolites of Raphani Semen and Study on Promoting Gastrointestinal Motility}},
author = {Xianming Lan and Ying Zhang and Hui Cao and Xintong Li and Weiting Liang and Jing Deng and Hao Qian and Menghua Wu and Zhiguo Ma},
journal = {Molecules},
year = {2026},
month = nov,
doi = {10.3390/molecules31213942},
url = {https://www.mdpi.com/1420-3049/31/21/3942},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Taxonomy-Driven Core Scaffold Expansion Strategy for Comprehensive Profiling of Secondary and In Vivo Metabolites of Raphani Semen and Study on Promoting Gastrointestinal Motility
AU - Xianming Lan
AU - Ying Zhang
AU - Hui Cao
AU - Xintong Li
AU - Weiting Liang
AU - Jing Deng
AU - Hao Qian
AU - Menghua Wu
AU - Zhiguo Ma
PY - 2026
DA - 2026/11/02
JO - Molecules
DO - 10.3390/molecules31213942
UR - https://www.mdpi.com/1420-3049/31/21/3942
AB - Raphani Semen (RS) has two different application forms in the Chinese Pharmacopoeia (ChP): raw RS and stir-fried RS. However, the compounds of raw and stir-fried RS decoctions, in vivo metabolic pathways, and the effects on promoting gastrointestinal motility remain completely unclear. To address this, a Taxonomy-Driven Core Scaffold Expansion (TDCSE) strategy was developed to track compounds of raw and stir-fried RS decoctions and subsequent in vivo metabolic pathways. Then, a zebrafish model was used to evaluate the effect of raw and stir-fried RS decoctions on promoting gastrointestinal motility. Finally, through network pharmacology and molecular docking techniques, the potential targets and pathways of absorbed compounds were predicted. The results indicated that 26 compounds were detected in the stir-fried RS decoction. In addition to these 26 compounds, another 50 compounds were detected in the raw RS decoction. Moreover, a total of 123 metabolites (including prototypes) were detected after removing the duplications. A total of 18, 71, 59, and 4 metabolites were discovered in plasma, urine, feces, and liver tissue, respectively. Evaluation in a zebrafish model demonstrated that both raw RS and stir-fried RS decoctions possessed the effect of promoting gastrointestinal motility compared with the model group. The promoting gastrointestinal motility potential targets, PTGS2, TNF, PARP1, MTOR, etc., and the IL-17 pathway were predicted. Collectively, this study clarified the differences in compounds and in vivo metabolites of raw and stir-fried RS decoctions. It provided a reference for further investigation into the effect of promoting gastrointestinal motility of RS.
SN - 1420-3049
ER -