UHPLC-QTOF-MS/MS based characterization of anti-tumor constituents in Ceratocarpus arenarius L. and identification of EGFR-TK inhibitors by virtual screening

Le Pan, Li Li, Lu Xu, Jiaojiao Zhang, Jiashan Li, Ming Gao, JinMen Yu, Lu Jin & Dongyu Lei
The constituents of Ceratocarpus arenarius L., as a traditional anticancer medicine of Kazakh, were firstly profiled with UHPLC-QTOF-MS/MS. The potential compounds against EGFR-TK were virtually screened. As a result, forty-four compounds were analyzed, including 18 flavonoids, 8 steroids, 4 phenolic acids, 9 fatty acids, 1 coumarin and 4 other compounds. Among them, 9 flavonoids, N-trans-Feruloyltyramine (5), stigmasterol (11) and carthamone (38) were recognized as potential key anti-tumor constituents of C. arenarius through docking to active...
1 citation reported since publication in 2022.
This data repository is not currently reporting usage information. For information on how your repository can submit usage information, please see our documentation.