抄録
GLS1 is an attractive target not only as anticancer agents but also as candidates for various potential pharmaceutical applications such as anti-aging and anti-obesity treatments. We performed docking simulations based on the complex crystal structure of GLS1 and its inhibitor CB-839 and found that compound A bearing a thiadiazole skeleton exhibits GLS1 inhibition. Furthermore, we synthesized 27 thiadiazole derivatives in an effort to obtain a more potent GLS1 inhibitor. Among the synthesized derivatives, 4d showed more potent GLS1 inhibitory activity (IC50 of 46.7 µM) than known GLS1 inhibitor DON and A. Therefore, 4d is a very promising novel GLS1 inhibitor.
本文言語 | 英語 |
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論文番号 | 129438 |
ジャーナル | Bioorganic and Medicinal Chemistry Letters |
巻 | 93 |
DOI | |
出版ステータス | 出版済み - 2023/09/01 |
ASJC Scopus 主題領域
- 生化学
- 分子医療
- 分子生物学
- 薬科学
- 創薬
- 臨床生化学
- 有機化学