Discovery of the Inhibitor Targeting the SLC7A11/xCT Axis through In Silico and In Vitro Experiments

赫拉 谷胱甘肽 癌细胞 生物信息学 细胞生物学 体外 氧化应激 化学 活性氧 程序性细胞死亡 生物化学 癌症研究 癌症 生物 细胞凋亡 基因 遗传学
作者
Jianda Yue,Yekui Yin,Xujun Feng,Jiawei Xu,Yaqi Li,Tingting Li,Songping Liang,Xiao He,Zhonghua Liu,Ying Wang
出处
期刊:International Journal of Molecular Sciences [MDPI AG]
卷期号:25 (15): 8284-8284
标识
DOI:10.3390/ijms25158284
摘要

In the development and progression of cervical cancer, oxidative stress plays an important role within the cells. Among them, Solute Carrier Family 7 Member 11 (SLC7A11/xCT) is crucial for maintaining the synthesis of glutathione and the antioxidant system in cervical cancer cells. In various tumor cells, studies have shown that SLC7A11 inhibits ferroptosis, a form of cell death, by mediating cystine uptake and maintaining glutathione synthesis. Additionally, SLC7A11 is also involved in promoting tumor metastasis and immune evasion. Therefore, inhibiting the SLC7A11/xCT axis has become a potential therapeutic strategy for cervical cancer. In this study, through structure-based high-throughput virtual screening, a compound targeting the SLC7A11/xCT axis named compound 1 (PubChem CID: 3492258) was discovered. In vitro experiments using HeLa cervical cancer cells as the experimental cell model showed that compound 1 could reduce intracellular glutathione levels, increase glutamate and reactive oxygen species (ROS) levels, disrupt the oxidative balance within HeLa cells, and induce cell death. Furthermore, molecular dynamics simulation results showed that compound 1 has a stronger binding affinity with SLC7A11 compared to the positive control erastin. Overall, all the results mentioned above indicate the potential of compound 1 in targeting the SLC7A11/xCT axis and treating cervical cancer both in vitro and in silico.
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