A Cost-Effective Hemin-Based Artificial Enzyme Allows for Practical Applications.
Dehui QiuFangni HeYuan LiuZhaoxi ZhouYuqin YangZhongwen LongQianqian ChenDesheng ChenShijiong WeiXuanxiang MaoXiaobo ZhangJean-Louis MergnyDavid MonchaudHuangxian JuJun ZhouPublished in: Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2024)
Nanomaterials excel in mimicking the structure and function of natural enzymes while being far more interesting in terms of structural stability, functional versatility, recyclability, and large-scale preparation. Herein, the story assembles hemin, histidine analogs, and G-quadruplex DNA in a catalytically competent supramolecular assembly referred to as assembly-activated hemin enzyme (AA-heminzyme). The catalytic properties of AA-heminzyme are investigated both in silico (by molecular docking and quantum chemical calculations) and in vitro (notably through a systematic comparison with its natural counterpart horseradish peroxidase, HRP). It is found that this artificial system is not only as efficient as HRP to oxidize various substrates (with a turnover number k cat of 115 s -1 ) but also more practically convenient (displaying better thermal stability, recoverability, and editability) and more economically viable, with a catalytic cost amounting to <10% of that of HRP. The strategic interest of AA-heminzyme is further demonstrated for both industrial wastewater remediation and biomarker detection (notably glutathione, for which the cost is decreased by 98% as compared to commercial kits).
Keyphrases
- molecular docking
- molecular dynamics simulations
- wastewater treatment
- molecular dynamics
- density functional theory
- circulating tumor
- cell free
- energy transfer
- single molecule
- hydrogen peroxide
- heavy metals
- monte carlo
- label free
- molecularly imprinted
- mass spectrometry
- anaerobic digestion
- quantum dots
- risk assessment
- high resolution
- sensitive detection
- solid phase extraction