Integrated NMR, HPLC-Chemometrics, and Network Pharmacology Strategy for Quality Assessment and Mechanism Elucidation of Gelatinous Chinese Medicines
- 1State Key Laboratory of Chinese Medicine Modernization, Institute of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China
- 2Haihe Laboratory of Modern Chinese Medicine, Tianjin 301617, China
Abstract
Gelatinous Chinese medicines (GCMs), such as Ejiao, are animal-derived solid preparations traditionally used for blood and qi deficiency. With growing market demand, adulteration has become a critical quality concern. This study established a multimodal quality assessment system for GCMs. Using 1H NMR, we characterized the acid hydrolysates of GCMs and identified 17 components, including 16 total hydrolysable amino acids and taurine, revealing compositional similarity across seven GCMs. Stability studies under acid hydrolysis were conducted on 19 amino acids, all of which remained stable except methionin, cystine, and tryptophan, leading to the selection of the remaining 16 amino acids as target analytes. A pre-column derivatization–HPLC method was validated for the quantification of 16 total hydrolysable amino acids, showing excellent linearity (r2 > 0.999), high precision (RSD < 2.71%), and satisfactory recoveries (90.74–109.3%). Content determination of 65 batches revealed batch-to-batch variations in total hydrolysable amino acid profiles. Combined with chemometrics, the method successfully discriminated dermal, horn, bone, and shell glues, and further enabled subcategory differentiation. Network pharmacology analysis suggested that these amino acid components may interact with key targets (e.g., GRM5, GABRA1, GABBR2) and pathways, primarily neuroactive ligand–receptor interaction. Collectively, this integrated analytical and network-based strategy not only supports chemical authentication but also provides insights into the potential molecular basis of the traditionally described restorative effects of GCMs, offering a scientific foundation for their modernization and international recognition.
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BibTeX
@article{zhou2026integrated,
title = {{Integrated NMR, HPLC-Chemometrics, and Network Pharmacology Strategy for Quality Assessment and Mechanism Elucidation of Gelatinous Chinese Medicines}},
author = {Lixin Zhou and Jianxiao Zheng and Ying Li and Kejing Niu and Fuxin Sun and Xin Chai and Yuefei Wang and Huijuan Yu},
journal = {Molecules},
year = {2026},
month = oct,
doi = {10.3390/molecules31213812},
url = {https://www.mdpi.com/1420-3049/31/21/3812},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Integrated NMR, HPLC-Chemometrics, and Network Pharmacology Strategy for Quality Assessment and Mechanism Elucidation of Gelatinous Chinese Medicines
AU - Lixin Zhou
AU - Jianxiao Zheng
AU - Ying Li
AU - Kejing Niu
AU - Fuxin Sun
AU - Xin Chai
AU - Yuefei Wang
AU - Huijuan Yu
PY - 2026
DA - 2026/10/22
JO - Molecules
DO - 10.3390/molecules31213812
UR - https://www.mdpi.com/1420-3049/31/21/3812
AB - Gelatinous Chinese medicines (GCMs), such as Ejiao, are animal-derived solid preparations traditionally used for blood and qi deficiency. With growing market demand, adulteration has become a critical quality concern. This study established a multimodal quality assessment system for GCMs. Using 1H NMR, we characterized the acid hydrolysates of GCMs and identified 17 components, including 16 total hydrolysable amino acids and taurine, revealing compositional similarity across seven GCMs. Stability studies under acid hydrolysis were conducted on 19 amino acids, all of which remained stable except methionin, cystine, and tryptophan, leading to the selection of the remaining 16 amino acids as target analytes. A pre-column derivatization–HPLC method was validated for the quantification of 16 total hydrolysable amino acids, showing excellent linearity (r2 > 0.999), high precision (RSD < 2.71%), and satisfactory recoveries (90.74–109.3%). Content determination of 65 batches revealed batch-to-batch variations in total hydrolysable amino acid profiles. Combined with chemometrics, the method successfully discriminated dermal, horn, bone, and shell glues, and further enabled subcategory differentiation. Network pharmacology analysis suggested that these amino acid components may interact with key targets (e.g., GRM5, GABRA1, GABBR2) and pathways, primarily neuroactive ligand–receptor interaction. Collectively, this integrated analytical and network-based strategy not only supports chemical authentication but also provides insights into the potential molecular basis of the traditionally described restorative effects of GCMs, offering a scientific foundation for their modernization and international recognition.
SN - 1420-3049
ER -