【作者】 蒋华良；

【Author】 Hualiang Jiang;Shanghai Institute of Materia Medica,Chinese Academy of Sciences;School of Life Science and Technology,Shanghai Tech University;

【机构】 中国科学院上海药物研究所药物发现与设计中心； 上海科技大学生命科学与技术学院；

【摘要】 从上世纪90年代开始,结构生物学快速发展,这为人们理解蛋白质的功能奠定了坚实的基础。与此同时,与结构生物学密切相关的计算方法也取得了长足的进步,有助于我们阐明这些蛋白质详细工作机制,加速新型小分子探针或调控剂的发现进程。近年来,我们课题组和国内其他一些团队针通过采用计算模拟、预测联合实验验证的研究策略,针对一些重要的药物靶标的结构-功能-调控开展研究,在离子通道、G蛋白偶联受体、以及肿瘤相关的表观遗传药物靶点上取得了一系列重要进展^[1-8]。更多还原

【Abstract】 Over the last quarter century,there is a rapid development of structural biology,and it provides solid evidence for understanding the functions of proteins.Meanwhile,computational approaches with particular relevance to the field also acquired a steady pace of incremental improvement,which help to elucidate the detailed working mechanism and accelerate the discovery of new chemical modulators of proteins.Integrating computational simulations and predictions with experimental validation,our group and some other Chinese researchers have paid extensive attentions on the structure,function and modulation study of important therapeutic targets in recent years.In particular,a few breakthroughs in the study of ion channels,GPCRs,and some epigenetic targets in cancers have been obtained..更多还原