Deciphering the chemical constituents of Shengjiang Xiexin decoction by ultrahigh‐performance liquid chromatography‐quadrupole/orbitrap high‐resolution mass spectrometry and the impact of 20 characteristic components on multidrug resistance‐associated protein 2 in the vesicular transport assay

Abstract

Shengjiang Xiexin decoction, a traditional Chinese medical formula, has been utilized to alleviate the delayed‐onset diarrhea induced by irino tecan. However, the chemical constituents of this formula and the activities of its constituents remain unclear. In this study, ultrahigh‐performance liquid chromatography‐quadrupole/orbitrap high‐resolution mass spectrometry was employed to comprehensively analyze the chemical constituents of Shengjiang Xiexin decoction. A total of 270 components, including flavonoids, coumarins, triterpenoids, alkaloids, diarylheptanoids and others, were identified or characterized. Multidrug resistance‐associated protein 2 is an efflux transporter responsible for regulating drug absorption. A total of 20 characteristic components from the formula were selected to evaluate their effects on the function of multidrug resistance‐associated protein 2 using the vesicular transport assay. Glycyrrhizic acid and glycyrrhetinic acid were identified as potential multidrug resistance‐associated protein 2 inhibitors, while 9 flavonoid aglycones increased the uptake of the substrate [3H]‐estradiol 17‐β‐glucuronide in the vesicles. This was the first systematic investigation of the chemical constituents from Shengjiang Xiexin decoction and the effect of its characteristic components on the transporter. The results offered a basis for further exploring the detoxification mechanisms of this formula and its interactions with other drugs.

Ultra‐high‐performance liquid chromatography‐Quadrupole‐Exactive‐Orbitrap‐tandem mass spectrometry‐based putative identification for Eucommiae Folium (Duzhongye) and its quality‐marker candidate for pharmacopeia

“…Likewise, dihydrokaempferol may be biosynthesized into quercetin (21) by F3'H and FLS [30]. Quercetin (21) undergoes glycosidation at different sites, to give quercetin 3-gentiobioside (4), quercetin 3-O-β-Dglucose-7-O-β-D-gentiobioside (5), hyperoside (12), rutin (13), isoquercitrin (14), quercetin-3-O-β-D-xylopyranoside (15), quercitrin (18), and quercetin (21), respectively. If 3′-OH methylation, quercetin (21) can also be converted into isorhamnetin-3-O-β-D-glucoside (19).…”

“…Usually, the UHPLC-Quadrupole-Exactive-Orbitrap MS/MS can simultaneously identify dozens or even hundreds of compounds [12][13][14][15]. Its efficiency is much higher than the conventional high-performance liquid chromatography coupled with ultraviolet-visible spectroscopy (HPLC-UV) analysis, which can only simultaneously identify 4-8 compounds in Eucommiae Folium [9,10,16,17].…”

Performance in (Ultra‐)high‐performance liquid chromatography—How to qualify and optimize instruments in practice

“…particularly in pharmacy [2][3][4][5][6][7], for example, in the recent analysis of traditional Chinese medicine [8][9][10][11][12][13][14][15][16][17][18][19][20][21].…”

“…This allows even higher theoretical plate numbers and even faster separations. Therefore, UHPLC is a popular technique where highly complex separations are required, particularly in pharmacy [2–7], for example, in the recent analysis of traditional Chinese medicine [8–21].…”