第1周
计算生物学
化学信息学
化学空间
癌症
机制(生物学)
脆弱性(计算)
药品
加药
医学
癌症研究
临床试验
药物发现
激酶
合成致死
生物信息学
药物开发
DNA损伤修复
药物重新定位
生物信息学
药理学
生物
翻译(生物学)
DNA损伤
癌症治疗
毒性
DNA修复
转化研究
癌症治疗
癌细胞
临床疗效
作者
Xin Xue,X Q Chen,Yitian Jiang,Xinhai Wang,Zheng Xu,Chenqi Bei,Guanqiao Shi,Yifan Zhu,Yuqing Wei,Y C Chen,Nan Li
摘要
Wee kinases, including Wee1, Myt1 (PKMYT1) and Wee2, serve as critical regulators of the DNA damage response by inhibiting the G2/M transition and have attracted increasing attention as a targetable vulnerability in TP53-deficient cancers. Wee1 is the fastest progressing member in clinical research, and its inhibitors such as AZD-1775 and ZN-c3 are under clinical evaluation. Because toxicity and resistance persist with existing agents, research is moving toward newer strategies such as protein degradation technologies. Proceeding from sequence and structure, we, for the first time, use chemoinformatics to delineate the chemical space of the Wee1 binding pocket and classify reported inhibitors into three pocket engagement types, thereby constructing a high-resolution pocket map and an anchorable Markush for designing inhibitors with high selectivity and activity. We further summarize design principles for targeted degradation of Wee1 and outline combination strategies grounded in synthetic lethality, and we curate recent preclinical and ongoing clinical advances with discussion of biomarker-guided enrollment and dosing schedules. By linking structural mechanisms to pharmacology and clinical placement, this review provides an actionable framework for next-generation Wee1-directed drug design and translation in oncology.
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