Implantable photoelectrochemical-therapeutic methotrexate monitoring system with dual-atomic docking strategy.

Xu, Xiankui; Xu, Dawei; Zhou, Xue; Huang, Jing; Gu, Shiting; Zhang, Zhonghai · Nat Commun · 2025

basic_science · Level V

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Abstract

The need for precise modulation of blood concentrations of pharmaceutical molecule, especially for high-risk drugs like Methotrexate (MTX), is underscored by the significant impact of individual variations on treatment efficacy. Achieving selective recognition of pharmaceutical molecules within the complex biological environment is a substantial challenge. To tackle this, we propose a synergistic atomic-molecular docking strategy that utilizes a hybrid-dual single-atom Fe1-Zn1 on a TiO2 photoelectrode to selectively bind to the carboxyl and aminopyrimidine groups of MTX respectively. By integrating this Fe<sub>1</sub>-Zn<sub>1</sub>-TiO<sub>2</sub> photoelectrode with a microcomputer system, an implantable photoelectrochemical-therapeutic drug monitoring (PEC-TDM) system is developed for real-time, continuous in vivo MTX monitoring. This system facilitates personalized therapeutic decision-making and intelligent drug delivery for individualized cancer therapy, potentially revolutionizing oncological care and enhancing patient outcomes.

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