Mechanism evaluation of fluconazole cytotoxicity based on virtual screening technology
LI Songzhe
SUN Yue
CAI Lingyun
SUN Yang
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.
Keywords：fluconazolevirtual screeningmolecular dockingcell contamination
Publication Date：2023-10-28
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：6( 391-396 )