Identification of the active compounds and their mechanisms of medicinal and edible Heigen based on UHPLC-Q-Exactive Orbitrap MS and network pharmacology

Abstract

Heigen is the root and rhizomes of Duhaldea Nervosa Anderberg., a traditional medicine food homology herb used to treat rheumatoid arthritis in China,but the potential active components and the underlying mechanism have not been clarified. In this study, the chemical compounds and the components absorbed into the blood from Heigen were assessed using ultrahigh performance liquid chromatography coupled with quadrupole Orbitrap high-resolution mass spectrometry. 72 chemical constituents were identified in Heigen, 13 blood prototypical constituents, and 9 metabolites were found in serum samples after intragastric administration of Heigen extracts to rats. Then, using network pharmacology and molecule docking, 10 compounds were assumed to be potentially key active compounds against RA, which may be via the multi-component, multi-target and multi-pathway interaction mechanism of Heigen in the treatment of RA, and also provides a pharmacological basis for the treatment of RA.

Polyphenols of the Inuleae-Inulinae and Their Biological Activities: A Review

“…In the roots of I. grandiflora, from a location in Himalayas, the compound was one of the major phenolic metabolites detected (over 6 μg per 1g of the dry root) [115]. Umbelliferone (7-hydroxycoumarin; hydrangin; skimmetin) was isolated from a chloroform fraction of P. gnaphalodes extract [352] and tentatively identified in the extracts from roots and rhizomes of D. nervosa [199], I. helenium and I. racemosa [277]. Another simple coumarin, herniarin (7-methoxycoumarin), and its derivative 7-hydroxycoumarin-sesquiterpene ether (feshurin, see Figure 7) were the coumarins isolated from P. gnaphalodes in addition to umbelliferone [352].…”

“…The compound (from C. macrocephalum) turned out to be devoid of antibacterial activity [349]. Scopolin (scopoletin 7-O-glucoside) was present in the extracts from D. cappa (0.13-0.22 mg/g) [69,127] and was tentatively identified in roots and rhizomes of D. nervosa [113,199], I. helenium and I. racemosa [277]. Isoscopoletin (6-hydroxy-7-methoxycoumarin; 7-methoxyesculetin) was found in D. cappa [69] and D. nervosa [113].…”

“…Aerial parts of P. wightiana yielded 7,8-dihydroxy-6-methoxycoumarin (fraxetin) [245]. The compound was also provisionally identified in B. balsamifera [133] and D. nervosa [199]. Brahmi-Chendouh and coworkers tentatively identified 3,7-dihydroxycoumarin during the LC-MS analysis of the deterpenated and defatted D. viscosa leaves.…”