NATURAL PRODUCT RESEARCH AND DEVELOPMENT ›› 2023, Vol. 35 ›› Issue (12): 2154-2167.doi: 10.16333/j.1001-6880.2023.12.015

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Difference of amino acid content in Testudinis Carapacis et Plastri Colla from different manufacturers and its potential mechanism of anti-osteoporosis based on UHPLC-QTRAP-MS/MS combined with network pharmacology

CHEN Qiao-qiao1,TANG Hao2,WANG Fen1,TANG Yan-fu1,HE Qing-hu3*,YU Na1*   

  1. 1School of Pharmacy,Hunan University of Traditional Chinese Medicine,Changsha 410208,China;2Hunan Academy of Traditional Chinese Medicine Affiliated Hospoital,Changsha 410006,China;3Hunan Pharmaceutical University,Huaihua 418000,China
  • Online:2023-12-28 Published:2023-12-27

Abstract:

To compare the quality differences of Testudinis Carapacis et Plastri Colla (TCPC) in the market,and explore the potential active ingredients for osteoporosis,15 batches of TCPC samples from four companies were selected to detect the contents of hydrolysis amino acid by UHPLC-QTRAP-MS/MS.Compared the content differences of hydrolyzed amino acids in 15 batches with multivariate statistics.To predict the active components of TCPC and the core targets for treating osteoporosis with network pharmacology,to predict the molecular mechanism with GO and KEGG enrichment analysis,and the binding mode of amino acid and the Hub target were predicted by molecular docking.The results showed that the samples from companies A and D were well clustered,and the synthesis score of company A was the highest.The contents of glutamate,aspartate,serine,L-hydroxyproline,lysine,arginine,threonine,and methionine had a greater impact on the quality of TCPC.175 potential targets and 68 core targets for treating osteoporosis were selected in the 17 amino acids,of which glycine and alanine were the key components.The core targets mainly involved of the alpha amino acid metabolism,cellular amino acid metabolism,small molecule catabolism and other biological processes,as well as amino acid synthesis,arginine and proline metabolism,carbon metabolism and other 212 signaling pathways.Molecular docking showed that the glycine and alanine were well bound to the active pockets of 11 Hub targets.In conclusion,there are some differences in the amino acid content of TCPC between different companies and batches.The key active ingredients of TCPC anti-osteoporosis may be glycine and alanine,and the mechanism may be related to the targets of CAT,NOS1,GATM,etc.which affecting the pathways of amino acid biosynthesis,arginine and proline metabolism,and carbon metabolism.

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