Configurations of metallocyclams and relevance to anti-HIV activity
Configurations of metallocyclams and relevance to anti-HIV activity
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DOI：
10.1016/j.jinorgbio.2003.10.018
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发表时间：
2004-05-01
影响因子：
3.9
通讯作者：
Sadler, PJ
中科院分区：
文献类型：
--
作者：
Hunter, TM;Paisey, SJ;Sadler, PJ
抗病毒的cyclam大环化合物通过与CXCR 4辅助受体结合来阻断病毒进入细胞。环胺强烈结合过渡金属离子，并可能形成一系列反式（I-V）和顺式构型，这些构型可能被共受体蛋白不同地识别。CSD（晶体结构数据库）的一项调查表明，反式-III构型是最常见的在固态的复合物cyclam本身。其他构型可以通过N-取代或三元络合以及通过与溶液中溶剂的相互作用来诱导。我们报告的X-射线结构的正方形平面反式III配合物[Pd（cyclam）]Cl-2。2 MeOH和C-C连接的二聚体[Pd-2（2，2 '-bi-（1，4，8，11-tetraazacyclotetradecane））]（ClO_4）（4），其中两个cyclam环的平面接近垂直（100.1 °），而四-N-苄基cyclam及其五配位Ni（II）配合物[Ni（Bz（4）-cyclam）Cl]Cl具有不寻常的trans-I构型。(C)2003年爱思唯尔公司All rights reserved.
Antiviral cyclam macrocycles block viral entry into cells by binding to the CXCR4 co-receptor. Cyclams bind transition metal ions strongly and can potentially form a range of trans (I-V) and cis configurations which may be recognised differently by co-receptor proteins. A survey of the CSD (crystallographic structural database) shows that the trans-III configuration is the most common in the solid state for complexes of cyclam itself. Other configurations can be induced by N-substitution or ternary complexation and by interaction with solvents in solution. We report X-ray structures for the square-planar trans-III complexes [Pd(cyclam)]Cl-2 . 2MeOH and the C-C linked dimer [Pd-2(2,2'-bi-(1,4,8,11-tetraazacyclotetradecane))](ClO4)(4), in which the planes of the two cyclam rings are close to perpendicular (100.1degrees), and for tetra-N-benzyl-cyclam and its 5-coordinate Ni(II) complex [Ni(Bz(4)-cyclam)Cl]Cl which has the unusual trans-I configuration. (C) 2003 Elsevier Inc. All rights reserved.