Huzil J Torin, Chik John K, Slysz Gordon W, Freedman Holly, Tuszynski Jack, Taylor Richard E, Sackett Dan L, Schriemer David C
Division of Experimental Oncology, Cross Cancer Institute, 11560 University Avenue, Edmonton, Alberta, Canada.
J Mol Biol. 2008 May 16;378(5):1016-30. doi: 10.1016/j.jmb.2008.03.026. Epub 2008 Mar 19.
Microtubules are significant therapeutic targets for the treatment of cancer, where suppression of microtubule dynamicity by drugs such as paclitaxel forms the basis of clinical efficacy. Peloruside A, a macrolide isolated from New Zealand marine sponge Mycale hentscheli, is a microtubule-stabilizing agent that synergizes with taxoid drugs through a unique site and is an attractive lead compound in the development of combination therapies. We report here unique allosteric properties of microtubule stabilization via peloruside A and present a structural model of the peloruside-binding site. Using a strategy involving comparative hydrogen-deuterium exchange mass spectrometry of different microtubule-stabilizing agents, we suggest that taxoid-site ligands epothilone A and docetaxel stabilize microtubules primarily through improved longitudinal interactions centered on the interdimer interface, with no observable contributions from lateral interactions between protofilaments. The mode by which peloruside A achieves microtubule stabilization also involves the interdimer interface, but includes contributions from the alpha/beta-tubulin intradimer interface and protofilament contacts, both in the form of destabilizations. Using data-directed molecular docking simulations, we propose that peloruside A binds within a pocket on the exterior of beta-tubulin at a previously unknown ligand site, rather than on alpha-tubulin as suggested in earlier studies.
微管是癌症治疗的重要靶点,像紫杉醇这类药物抑制微管动态性构成了临床疗效的基础。Peloruside A是一种从新西兰海洋海绵Mycale hentscheli中分离出的大环内酯类化合物,是一种微管稳定剂,它通过一个独特的位点与紫杉烷类药物协同作用,是联合疗法开发中一种有吸引力的先导化合物。我们在此报告通过Peloruside A实现微管稳定的独特变构特性,并展示Peloruside结合位点的结构模型。通过一种涉及对不同微管稳定剂进行比较氢-氘交换质谱分析的策略,我们认为紫杉烷类位点配体埃坡霉素A和多西他赛主要通过改善以二聚体间界面为中心的纵向相互作用来稳定微管,原纤维之间的横向相互作用没有明显贡献。Peloruside A实现微管稳定的方式也涉及二聚体间界面,但包括来自α/β-微管蛋白二聚体内界面和原纤维接触的贡献,二者均以去稳定化的形式存在。利用数据导向的分子对接模拟,我们提出Peloruside A结合在β-微管蛋白外部一个此前未知的配体位点的口袋内,而不是像早期研究所暗示的那样结合在α-微管蛋白上。
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