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中文摘要：
细胞信号转导途径的异常变化与人类肿瘤的发生密切相关，依据信号转导调控规律治疗肿瘤已成为肿瘤治疗的新方法。Ras蛋白的功能异常在细胞转化及肿瘤发生中起到重要作用，以与癌症相关的Ras等药物作用靶标来发现先导化合物成为当前较为成熟的手段。本研究计划首次以Ras/GTP结合型、激活状态的Ras为新型靶标，以虚拟筛选为切入点，利用我们引入的新颖的特异性概念，从二维空间交叉评价和打分来提高候选化合物的命中率，弥补了传统虚拟筛选中打分的片面性。该计划充分发挥生命科学、化学、生物医学和结构生物学等多学科合作研究的交叉优势，通过靶向GTP水解和鸟苷酸交换反应的中间产物来发现并设计用于癌症治疗的抗Ras药物小分子探针，揭示调控Ras信号转导的新机制，并通过细胞和动物模型对筛选的小分子探针进行体外活性评价，进而为癌症的治疗与防治提供新型药物作用靶标和新型药物先导结构，为创新药物的发现和发展奠定基础。
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期刊论文
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