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

Xiankui Xu, Dawei Xu, Xue Zhou, Jing Huang, Shiting Gu and Zhonghai Zhang ()
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Xiankui Xu: East China Normal University
Dawei Xu: East China Normal University
Xue Zhou: East China Normal University
Jing Huang: East China Normal University
Shiting Gu: East China Normal University
Zhonghai Zhang: East China Normal University

Nature Communications, 2025, vol. 16, issue 1, 1-12

Abstract: 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 Fe1-Zn1-TiO2 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.

Date: 2025
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DOI: 10.1038/s41467-025-57084-2

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