Characterization and screening of cyclooxygenase-2 inhibitors from Zi-shen pill by affinity ultrafiltration-ultra performance liquid chromatography mass spectrometry. (15th September 2019)

• Record Type: Journal Article
• Authors: Huai, Jiaxin; Zhao, Xiaoning; Wang, Siqi; Xie, Linlin; Li, Yiran; Zhang, Teng; Cheng, Congcong; Dai, Ronghua
• Is Part Of: Journal of ethnopharmacology. Volume 241(2019)
• Publication Date: 2019-09-15
• Subjects: Cyclooxygenase-2 inhibitors -- Zi-shen pill extract -- Ultrafiltration -- UPLC-MS; ZSP Zi-shen pill -- BPH benign prostatic hyperplasia -- UPLC-ESI-MSn ultra performance liquid chromatography-electrospray ionization-mass spectrometry -- COX-2 cyclooxygenase-2 -- FT-ICR MS Fourier transform ion cyclotron resonance mass spectrometry -- AA arachidonic acid -- COX cyclooxygenase -- LOX lipoxygenase -- TXAs thromboxanes -- PGs prostaglandins -- PGE2 prostaglandin E2 -- PGE2-d4 prostaglandin E2-d4 -- Anemarrhena asphodeloides Bge. A. asphodeloides -- Phellodendron chinense Schneid. P. chinense; Ethnopharmacology -- Periodicals; Pharmacognosy -- Periodicals; Herbs -- Periodicals; Herbs -- Periodicals; Pharmacognosy -- Periodicals; Pharmacognosie -- Périodiques; Herbes -- Périodiques; 615.1
• DOI: 10.1016/j.jep.2019.111900
• Languages: English
• ISSNs: 0378-8741

Abstract

Abstract: Ethnopharmacological relevance: Zi-shen pill (ZSP) is a classical Chinese herbal formula used for treatment of benign prostatic hyperplasia (BPH). Aim of the study: To characterize and screen cyclooxygenase-2 (COX-2) inhibitors from ZSP extract. Materials and methods: The ZSP extract was incubated with COX-2 and the potential ligands were screened out by affinity ultrafiltration. Celecoxib and glipizide were chosen as positive control and negative control drug, respectively. Affinity ultrafiltration-ultra performance liquid chromatography-mass spectrometry (UPLC-MS) method was used. In addition, in vitro COX-2 inhibitory assay and in silico molecular docking technique were used for further validation. Results: A total of 20 components were discovered and identified from ZSP ultrafiltrate by high resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), among which 8 compounds were deduced as potential COX-2 inhibitors by their high specific binding values (>1.5). Inhibitory activities of demethyleneberberine, palmatine, berberine and timosaponin A-I were confirmed by an enzyme assay of COX-2, which validated the reliability of our approach. Molecular docking simulation investigated potential mechanism of action for these compounds. Conclusion: The results revealed that affinity ultrafiltration UPLC-MS could successfully screen out the potential COX-2 inhibitors from complex Chinese herbal formula ZSP extract, indicating that its therapeutic effect on BPH was partly based on the enzyme active ingredients.