中国真菌学杂志2023，Vol.18Issue(5)：391-396,6.
基于虚拟筛选技术对氟康唑细胞毒性的机制评价
Mechanism evaluation of fluconazole cytotoxicity based on virtual screening technology
摘要
Abstract
Objective To investigate whether fluconazole is toxic to cells and whether it can be used to prevent and control cell contamination.Methods Virtual screening and molecular docking technology were used to screen potential toxic targets.In vitro experiments using human hepatoma SMMC-7721 cells,human embryonic liver HHL-5 cells and human embryonic kidney HEK-293 cells were performed.The effect of fluconazole on cell viability was verified by CCK8 assay.Hoechst 33342/PI double staining experiment was used for morphological observation.qRT-PCR experiments further verified wheth-er fluconazole had an effect on the targets obtained by virtual screening,and clarified the mechanism of the effect on cells.Results The first six core toxicity targets of virtual screening were IL6,TP53,TNF,IL1β,VEGFA and EGFR.CCK8 as-say and Hoechst 33342/PI double staining assay showed that fluconazole had inhibitory effects on SMMC-7721 cells and HHL-5 cells,and had a proliferative effect on HEK-293 cells.qRT-PCR experiments showed that the core targets of flucon-azole-induced cytotoxicity were IL6,IL1β and EGFR.Conclusions Fluconazole is not suitable for widespread use in the pre-vention of cellular contamination.关键词
氟康唑/虚拟筛选/分子对接/细胞污染Key words
fluconazole/virtual screening/molecular docking/cell contamination分类
医药卫生引用本文复制引用
李松哲,孙悦,蔡凌云,孙阳..基于虚拟筛选技术对氟康唑细胞毒性的机制评价[J].中国真菌学杂志,2023,18(5):391-396,6.基金项目
国家自然科学基金青年基金(81704054) （81704054）
黑龙江省博士后科研启动金(LBH-Q19184) （LBH-Q19184）
