Department of Chemistry, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma (Baleares), Spain.
J Phys Chem Lett. 2020 Oct 1;11(19):8259-8263. doi: 10.1021/acs.jpclett.0c02295. Epub 2020 Sep 17.
The regium-π interaction is an attractive noncovalent force between group 11 elements (Cu, Ag, and Au) acting as Lewis acids and aromatic surfaces. Herein, we report for the first time experimental (Protein Data Bank analysis) and theoretical (RI-MP2/def2-TZVP level of theory) evidence of regium-π bonds involving Au(I) and aromatic amino acids (Phe, Tyr, Trp, and His). These findings might be important in the field of drug design and for retrospectively understanding the role of gold in proteins.
金-π 相互作用是一种具有吸引力的非共价相互作用，发生在作为路易斯酸的第 11 族元素（Cu、Ag 和 Au）与芳香表面之间。在此，我们首次报道了涉及 Au(I)和芳香族氨基酸（Phe、Tyr、Trp 和 His）的金-π 键的实验（蛋白质数据库分析）和理论（RI-MP2/def2-TZVP 理论水平）证据。这些发现可能对药物设计领域以及回顾性理解金在蛋白质中的作用具有重要意义。
