Matching the kinetics of natural enzymes with a single-atom iron nanozyme

Developing artificial enzymes with the excellent catalytic performance of natural enzymes has been a long-standing goal for chemists. Single-atom catalysts with well-defined atomic structure and electronic coordination environments can effectively mimic natural enzymes. Here, we report an engineered FeN3P-centred single-atom nanozyme (FeN3P-SAzyme) that exhibits comparable peroxidase-like catalytic activity and kinetics to natural enzymes, by controlling the electronic structure of the single-atom iron active centre through the precise coordination of phosphorus and nitrogen. In particular, the engineered FeN3P-SAzyme, with well-defined geometric and electronic structures, displays catalytic performance that is consistent with Michaelis-Menten kinetics. We rationalize the origin of the high enzyme-like activity using density functional theory calculations. Finally, we demonstrate that the developed FeN3P-SAzyme with superior peroxidase-like activity can be used as an effective therapeutic strategy for inhibiting tumour cell growth in vitro and in vivo. Therefore, SAzymes show promising potential for developing artificial enzymes that have the catalytic kinetics of natural enzymes.

Automated summary

By precisely controlling the electronic structure of the single-atom iron active center, FeN3P-SAzyme exhibits catalytic activity and kinetics comparable to natural enzymes, showing promising potential as an effective therapeutic strategy for inhibiting tumor cell growth.