Neel Andrew J, Hilton Margaret J, Sigman Matthew S, Toste F Dean
Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA.
Department of Chemistry, University of California, Berkeley, California 94720, USA.
Nature. 2017 Mar 29;543(7647):637-646. doi: 10.1038/nature21701.
Molecular recognition, binding and catalysis are often mediated by non-covalent interactions involving aromatic functional groups. Although the relative complexity of these so-called π interactions has made them challenging to study, theory and modelling have now reached the stage at which we can explain their physical origins and obtain reliable insight into their effects on molecular binding and chemical transformations. This offers opportunities for the rational manipulation of these complex non-covalent interactions and their direct incorporation into the design of small-molecule catalysts and enzymes.
分子识别、结合和催化作用通常由涉及芳香官能团的非共价相互作用介导。尽管这些所谓的π相互作用相对复杂，难以研究，但理论和建模现已发展到能够解释其物理起源，并可靠地洞察其对分子结合和化学转化影响的阶段。这为合理调控这些复杂的非共价相互作用，并将其直接应用于小分子催化剂和酶的设计提供了机会。
