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Atomic Ga Site Enables Photonanozymes with Specific Inhibition Modes for Primary Drug Screening
Jian Li1, Yu Wu1, Wenxuan Jiang1
1State Key Laboratory of Green Pesticide, International Joint Research Center for Intelligent Biosensing Technology and Health, College of Chemistry, Central China Normal University, Wuhan 430079, P.R. China.
Analytical Chemistry
|June 10, 2025
Summary
This study introduces a novel carbon nitride photonanozyme for analyzing antithyroid drugs. It uses light-regulated inhibition and machine learning for precise drug screening in early drug discovery.
Area of Science:
- Biochemistry
- Materials Science
- Nanotechnology
Background:
- Enzyme inhibition is key in drug discovery, but nanozyme models often lack complexity.
- Understanding nanozyme inhibition under external stimuli like light is challenging.
Purpose of the Study:
- To develop a carbon nitride photonanozyme for analyzing and screening antithyroid drugs.
- To investigate photoregulated inhibition modes and their application in drug discovery.
Main Methods:
- Fabrication of a carbon nitride photonanozyme with Ga-N3-coupled cyano sites (Ga-CN).
- Analysis of enzyme inhibition kinetics under varying conditions, including light irradiation.
- Development of a sensor array integrated with machine learning for drug screening.
Main Results:
- Ga-CN exhibits enhanced peroxidase-like activity due to modulated electronic structure and improved charge separation.
- Thiol-containing drugs show distinct mixed inhibition modes targeting different active sites.
- Inhibition effects are significantly amplified under light irradiation.
Conclusions:
- The developed Ga-CN photonanozyme enables precise screening of antithyroid drugs through photoregulated inhibition.
- This approach facilitates early drug discovery by leveraging differential inhibition patterns and machine learning.
