Zhang Yang, Zheng Wei, Luo Qun, Zhao Yao, Zhang Erlong, Liu Suyan, Wang Fuyi
Beijing National Laboratory for Molecular Sciences, Beijing 100190, PR China.
Dalton Trans. 2015 Aug 7;44(29):13100-11. doi: 10.1039/c5dt01430a.
We have recently demonstrated that complexation with (η(6)-arene)Ru(II) fragments confers 4-anilinoquinazoline pharmacophores a higher potential for inducing cellular apoptosis while preserving the highly inhibitory activity of 4-anilinoquinazolines against EGFR and the reactivity of the ruthenium centre to 9-ethylguanine (Chem. Commun., 2013, 49, 10224-10226). Reported herein are the synthesis, characterisation and evaluation of the biological activity of a new series of ruthenium(ii) complexes of the type [(η(6)-arene)Ru(N,N-L)Cl]PF6 (arene = p-cymene, benzene, 2-phenylethanol or indane, L = 4-anilinoquinazolines). These organometallic ruthenium complexes undergo fast hydrolysis in aqueous solution. Intriguingly, the ligation of (arene)Ru(II) fragments with 4-anilinoquinazolines not only makes the target complexes excellent EGFR inhibitors, but also confers the complexes high affinity to bind to DNA minor grooves while maintaining their reactivity towards DNA bases, characterising them with dual-targeting properties. Molecular modelling studies reveal that the hydrolysis of these complexes is a favourable process which increases the affinity of the target complexes to bind to EGFR and DNA. In vitro biological activity assays show that most of this group of ruthenium complexes are selectively active inhibiting the EGF-stimulated growth of the HeLa cervical cancer cell line, and the most active complex [(η(6)-arene)Ru(N,N-L13)Cl]PF6 (, IC50 = 1.36 μM, = 4-(3'-chloro-4'-fluoroanilino)-6-(2-(2-aminoethyl)aminoethoxy)-7-methoxyquinazoline) is 29-fold more active than its analogue, [(η(6)-arene)Ru(N,N-ethylenediamine)Cl]PF6, and 21-fold more active than gefitinib, a well-known EGFR inhibitor in use clinically. These results highlight the strong promise to develop highly active ruthenium anticancer complexes by ligation of cytotoxic ruthenium pharmacophores with bioactive organic molecules.
我们最近证明,与(η(6)-芳烃)钌(II)片段络合可赋予4-苯胺基喹唑啉药效基团更高的诱导细胞凋亡的潜力,同时保留4-苯胺基喹唑啉对表皮生长因子受体(EGFR)的高抑制活性以及钌中心与9-乙基鸟嘌呤的反应活性(《化学通讯》,2013年,第49卷,10224 - 10226页)。本文报道了一系列新型[(η(6)-芳烃)Ru(N,N-L)Cl]PF6型钌(II)配合物(芳烃 = 对异丙基苯、苯、2-苯乙醇或茚满,L = 4-苯胺基喹唑啉)的合成、表征及生物活性评估。这些有机金属钌配合物在水溶液中会快速水解。有趣的是,(芳烃)Ru(II)片段与4-苯胺基喹唑啉的连接不仅使目标配合物成为出色的EGFR抑制剂,还赋予配合物与DNA小沟结合的高亲和力,同时保持它们对DNA碱基的反应活性,使其具有双靶向特性。分子模拟研究表明,这些配合物的水解是一个有利过程,增加了目标配合物与EGFR和DNA结合的亲和力。体外生物活性测定表明,这组钌配合物中的大多数具有选择性活性,可抑制表皮生长因子(EGF)刺激的宫颈癌HeLa细胞系生长,活性最高的配合物[(η(6)-芳烃)Ru(N,N-L13)Cl]PF6(L13 = 4-(3'-氯-4'-氟苯胺基)-6-(2-(2-氨基乙基)氨基乙氧基)-7-甲氧基喹唑啉)的活性比其类似物[(η(6)-芳烃)Ru(N,N-乙二胺)Cl]PF6高29倍,比临床使用的著名EGFR抑制剂吉非替尼高21倍。这些结果突出了通过将细胞毒性钌药效基团与生物活性有机分子连接来开发高活性钌抗癌配合物的巨大前景。