Metabolomics Combined with Multivariate Statistical Analysis for Screening of Chemical Markers between Gentiana Scabra and Gentiana Rigescens
| Autor: | Yong Huang, Yun Li, Haoju Li, Gaole Zhang, Jiayuan Li, Wenlong Wei, De-An Guo |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2020 |
| Předmět: |
Gentianae Radix et Rhizome
Pharmaceutical Science Mass spectrometry 01 natural sciences Analytical Chemistry lcsh:QD241-441 Gentiana scabra Metabolomics Chemical marker lcsh:Organic chemistry Drug Discovery Partial least squares regression Physical and Theoretical Chemistry Gentiana rigescens biology Traditional medicine 010405 organic chemistry 010401 analytical chemistry Organic Chemistry biology.organism_classification chemical markers metabolomics 0104 chemical sciences Rhizome UPLC/LTQ-Orbitrap-MS Chemistry (miscellaneous) Molecular Medicine Multivariate statistical Gentiana |
| Zdroj: | Molecules Volume 25 Issue 5 Molecules, Vol 25, Iss 5, p 1228 (2020) |
| ISSN: | 1420-3049 |
| DOI: | 10.3390/molecules25051228 |
| Popis: | Gentianae Radix et Rhizome (Longdan in Chinese, GRR) in Chinese Pharmacopoeia is derived from the dried roots and rhizomes of Gentiana scabra and G. rigescens, that have long been used for heat-clearing and damp-drying in the medicinal history of China. However, the characterization of the chemical components of two species and the screening of chemical markers still remain unsolved. In current research, the identification and characterization of chemical components of two species was performed using ultra-high-performance liquid chromatography (UHPLC) coupled with linear ion trap-Orbitrap (LTQ-Orbitrap) mass spectrometry. Subsequently, the chemical markers of two species were screened based on metabolomics and multivariate statistical analysis. In total, 87 chemical constituents were characterized in G. scabra (65 chemical constituents) and G. rigescens (51 chemical constituents), with 29 common chemical constituents being discovered. Thereafter, 11 differential characteristic components which could differentiate the two species were designated with orthogonal partial least squares discriminant analysis (OPLS-DA) and random forest (RF) iterative modeling. Finally, seven characteristic components identified as (+)-syringaresinol, lutonarin, trifloroside, 4-O-&beta d-glu-trifloroside, 4&Prime O-&beta d-glucopyranosy1-6&prime O-(4-O-&beta d-glucaffeoyl)-linearroside, macrophylloside a and scabraside were selected as the chemical markers for the recognition of two Gentiana species. It was implied that the results could distinguish the GRR derived from different botanical sources, and also be beneficial in the rational clinical use of GRR. |
| Databáze: | OpenAIRE |
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