On-line screening and verification of haptens in Xiangdan injection combining chemical analysis with activity detection

UHPLC–PDA–Q‐TOF–MS–α‐amylase–FLD activity detection system and molecular docking

“…Researchers have developed multiple online activity screening systems that utilize highperformance liquid chromatography (UHPLC) to separate active components. 20,21 The chemical structures of the active ingredients were identified by combining relevant bioactivity tests and mass spectrometry. Sun et al developed an UHPLC-photodiode array-electrospray ionization-quadrupole-time-of-flight-mass spectrometry-lipoxygenase-fluorescence detector (UHPLC-PDA-ESI-Q-TOF-MS-LOX-FLD) system to isolate, characterize, and identify 101 compounds from farnesol, of which 38 compounds showed strong 5-LOX binding ability.…”

“…20 Wang et al used a high-performance liquid chromatography combined with a diode array detector coupled to electrospray ionization with ion-trap time-of-flight mass spectrometry (HPLC-DAD-ESI-IT-TOF-MS n -HSA-FLD) system for the rapid identification of 21 compounds, among which eight compounds showed different degrees of interaction with human serum albumin. 21 This online system simplifies sample pretreatment steps by combining ultra-high-performance liquid chromatography-mass spectrometry (UHPLC-MS) with biochemical detection methods. It simultaneously identifies multiple chemical constituents in natural products, quantifies their activity in the absence of enzyme substrates, and studies the structure-activity relationship of the identified inhibitors through molecular docking.…”