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一种肿瘤坏死因子-α的金属抑制剂。

A metal-based inhibitor of tumor necrosis factor-α.

机构信息

Institute of Chinese Medical Sciences and State Key Laboratory of Quality Research in Chinese Medicine, University of Macau, Macao, SAR China.

出版信息

Angew Chem Int Ed Engl. 2012 Sep 3;51(36):9010-4. doi: 10.1002/anie.201202937. Epub 2012 Jul 13.

DOI:10.1002/anie.201202937
PMID:22807261
Abstract

Staying in the pocket: A cyclometalated iridium(III) biquinoline complex targets the protein-protein interface (see picture; C yellow, N blue, Ir dark green) of the tumor necrosis factor-α (TNF-α) trimer. Molecular-modeling studies confirm the nature of this interaction. Both enantiomers of the iridium complex display comparable in vitro potency to the strongest small-molecule inhibitor of TNF-α.

摘要

滞留口袋

环金属铱(III)双喹啉配合物靶向肿瘤坏死因子-α（TNF-α）三聚体的蛋白质-蛋白质界面（如图所示；C 黄色，N 蓝色，Ir 深绿色）。分子建模研究证实了这种相互作用的性质。该铱配合物的两种对映异构体在体外均表现出与最强的 TNF-α 小分子抑制剂相当的效力。

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