特产研究2024，Vol.46Issue(3)：22-29,8.DOI:10.16720/j.cnki.tcyj.2023.065
基于高效液相色谱-四极杆飞行时间质谱技术和分子对接技术分析筛选大叶藜抗卵巢癌活性成分
Screening of Anti-Inflammatory Active Components of Chenopodium hy-bridum Based on High Performance Liquid Chromatography-Time-of-Flight Mass Spectrometry and Molecular Docking Technology
摘要
Abstract
In this study,high performance liquid chromatography-quadrupole time-of-flight mass spectrometry(HPLC-Q-TOF-MS)and molecular docking technology were used to screen the anti-ovarian cancer active components in Chenopodium hybridum L..The effects of ethanol extracts and macroporous resin extracts of C.hybridum on the inhibition of ovarian cancer OVCAR-3 cells were studied,and the anti-ovarian cancer active parts of C.hybridum.were determined.The chemical composition of the active part was analyzed by HPLC-Q-TOF-MS.Five important ovarian cancer-related proteins,Caspase-3,Caspase-8,Caspase-9,BAX and EGFR,were selected to carry out mol-ecular docking with the chemical components in the refined macroporous resin.It was found that the inhibition rate of ethanol extract of C.hybridum.and macroporous resin refined product on OVCAR-3 cell proliferation increased with the increase of concentration,and macrop-orous resin refined product had strong anti-ovarian cancer activity.HPLC-Q-TOF-MS identified 13 chemical components in the refined ma-croporous resin,including 12 flavonoids such as quercetin-7-O-β-D-glucose-3-O-α-L-rhamnoside,kaempferol,and one phenolic acid,chlorogenic acid.The molecular docking results showed that 13 components had high affinity with 5 targets,among which quercetin-7-O-β-D-glucose-3-O-α-L-hamnoside and kaempferol-3-O-α-L-rhamnoside-7-O-β-D-ylosidide had good binding with each target.It is con-firmed that the active part of C.hybridum.against ovarian cancer is refined macroporous resin,and its active component is mainly flavon-oids,which has a good anti-ovarian cancer effect.关键词
大叶藜/高效液相色谱-四极杆-飞行时间质谱技术/分子对接/抗卵巢癌Key words
Chenopodium hybridum/high performance liquid chromatography-quadrupole time-of-flight mass spectrometry/molecular docking/anti-ovarian cancer分类
医药卫生引用本文复制引用
杨淑莉,程端端,司丽慧,贾妍,李佳慧,曾祚萍,林瑞新..基于高效液相色谱-四极杆飞行时间质谱技术和分子对接技术分析筛选大叶藜抗卵巢癌活性成分[J].特产研究,2024,46(3):22-29,8.基金项目
吉林省科技发展计划项目(20200404084YY) （20200404084YY）
