Characterization of chemical constituents and absorbed components, screening the active components of gelanxinning capsule and an evaluation of therapeutic effects by ultra‐high performance liquid chromatography with quadrupole time of flight mass spectrometry

Abstract

We revealed the potential biomarker and pathway of gelanxinning capsule on rat model with coronary heart disease, which aims to clarify holistic therapeutic effect and predict quality‐markers of gelanxinning capsule. Ultra‐high performance liquid chromatography coupled with mass spectrometry based on metabolomics technique was used to find the biomarkers and related metabolic pathways of coronary heart disease model, which evaluates the intervention effect of gelanxinning capsule. Using serum pharmacochemistry of traditional Chinese medicine and Pearson correlation analysis, effective ingredients in serum is analyzed to characterize the activity of gelanxinning capsule on coronary heart disease under valid state. A total of 20 biomarkers from coronary heart disease were identified and 12 of them were regulated by gelanxinning capsule treatment, which is mainly involved in sphingolipid metabolism and glycerophospholipid metabolism. With the high sensitivity liquid chromatography coupled with mass spectrometry technology, a total of 46 compounds from gelanxinning capsule were identified in vitro and 25 of them were absorbed in blood. The correlation analysis of serum biomarkers and absorbed components was used to find 11 compounds as quality‐markers to be responsible for the efficacy of gelanxinning capsule. This strategy was successfully applied to screening of potential mechanism and quality‐markers from herbal medicine.

Chemical profiling and mechanistic studies of Zhi‐Shang‐Feng granules against influenza virus by high‐performance liquid chromatography coupled with Q exactive focus hybrid quadrupole orbitrap high‐resolution mass spectrometry in combination with network pharmacology analysis

“…Compound 10 showed the [M+H] + ion at m/z 579.1716 with a glucose cleavage at m/z 417.1177 ([M+H‐glc] + ), together with diagnostic ions at m/z 297.0765 ([M+H‐120‐glc] + ) and 255.0651 ([M+H‐2C 6 H 10 O 5 ] + ). The compound was identified as puerarin‐4′‐ O ‐beta‐ d ‐glucopyranoside on the basis of fragmentation behaviors and corresponding references [39]. The quasimmolecular ion of compound 108 was detected as [M+H] + in positive‐ion mode with m/z 285.0757.…”

Version updating of strategy for drug discovery based on effective constituents of traditional Chinese medicines

“…In 2015, Professor Xijun Wang published a monograph on Chinmedomics by Elsevier [131] , and he published six series of monographs in yearly volumes of Research Progress in Chinmedomics by Science Press (2016-2021) [132][133][134][135][136][137] . Chinmedomics has been used to evaluate the efficacy of approximately 20 classical TCM formulas and elucidate their mechanisms, a summary of these is provided in Table 4 [138][139][140][141][142][143][144][145][146][147][148][149][150][151][152][153][154] . We will use YHS and YCHD as examples to introduce the detail of Chinmedomics.…”

“…Magnoflorine-O-glucuronide, (p-hydroxybenzyl)-6,7-dihydroxy-N-methyltetrahydro isoquinoline-7-O-p-D-glucopyranosid, magnoflorine, menisperine-O-glucuronide, menisperine, berberine, jatrorrhizine, obaculactone, and obacunone [143] Sheng Mai powder Alzheimer disease Schisandrin, isoschisandrin, angeloylgomisin Q, gomisin D, angeloylgomisin H, gomisin M2, ginsenoside F1, and 20(R)-ginsenoside Rg3 [144] Kai Xin powder Alzheimer disease Ginsenoside Rf, ginsenoside F1, 20-O-glucopyranosyl ginsenoside Rf, dehydropachymic acid, and E-3, 4,5-trimethoxycinnamic acid [145] Yin Chen Hao decoction Dampnessheat jaundice syndrome 2-ethyl-2-hexenal, isofraxidin, 2,5-dimethyl-7-hydroxy chromone, 6,7-dimethoxy coumarin, geniposide, capillarisin, neochlorogenicacid, chimaphylin, and isorhamnetin-3-glucoside [146] Yun Nan Bai Yao Blood stasis syndrome Karacolidine, senbusine B, isotalatizidine, karakoline, denudatine, talatisamine, and chasmanine [147] Gelan Xinning capsule Coronary heart disease 11 compounds as quality markers responsible for the efficacy of Ge Lan Xin Ning capsule [148] Fangji Huangqi decoction Nephrotic syndrome (+)-Tetrandrine demethylation, fenfangjine G hydrogenation, tetrandrine, N-methylfangchinoline, tetrandrine demethylation, fangchinoline, glycyrrhetic acid, astragaloside II alcohol dehydration, atractylenolide III demethylation + hydrogenation, atractylenolide III demethylation + hydrogenation, and licoricone-N-acetylcysteine conjugation [149] Baizhu Shaoyao powder…”

Rapidly identifying bioactive compounds from Zhisou oral liquid by immobilized receptor‐based high‐performance affinity chromatography

“…Traditional Chinese medicine (TCM) contains myriad chemical ingredients and has faced great challenges in identifying bioactive components, thus screening methods with high specificity, selectivity, and efficiency are strongly recommended. To date, a lot of advanced techniques have been developed for recognizing potential bioactive compounds from TCM, such as combinatorial chemistry [1], HPLC‐MS [2,3], gene and protein chips [4], computer‐aided virtual screening [5], and pharmacological function‐guided approaches [6]. These methods greatly promoted the screening process of TCM, however, faster and generally applicable techniques are still needed for screening and identifying the bioactive components from complex samples.…”