Drug—drug interaction through molecular structure similarity analysis

Emerged as a cost-effective and robust enzyme mimic, nanozymes have drawn increasing attention with broad applications ranging from cancer therapy to biosensing. Developing nanozymes with both accelerated and inhibited biocatalytic properties in a biological context is highly envisioned for perusing more advanced functions of natural enzymes, such as in drug-drug interaction, but remains challenging. By re-visiting the well-known Fe-N-C electrocatalyst that has a heme-like Fe-Nx coordination active center, herein, we report that the Fe-N-C with a minimum graphitization had an even superior cytochrome P450 (CYP)-like biocatalytic activity. Moreover, the drug metabolization by the Fe-N-C upon co-existence of other foods and drugs demonstrated a trend of inhibition similar to CYP, indicating its great potential as a replacement for <a>drug dosing guide and outcome prediction</a>. Beyond boosting the enzyme-like activity, this work would open a new vista of nanozymes with inhibited behavior for keeping up more demanding applications, enabled by further mimicking the molecular structure of enzymes.

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Fe-N-C Nanozyme with Both Accelerated and Inhibited Biocatalytic Activities Capable of Accessing Drug-Drug Interaction

10.26434/chemrxiv.11888022 ◽

2020 ◽

Author(s):

Yuan Xu ◽

Jing Xue ◽

Qing Zhou ◽

Yongjun ZHENG ◽

Xinghua Chen ◽

...

Keyword(s):

Molecular Structure ◽

Cytochrome P450 ◽

Drug Interaction ◽

Cancer Therapy ◽

Outcome Prediction ◽

Cost Effective ◽

Enzyme Mimic ◽

Drug Dosing ◽

Drug Drug Interaction ◽

Biological Context

Emerged as a cost-effective and robust enzyme mimic, nanozymes have drawn increasing attention with broad applications ranging from cancer therapy to biosensing. Developing nanozymes with both accelerated and inhibited biocatalytic properties in a biological context is highly envisioned for perusing more advanced functions of natural enzymes, such as in drug-drug interaction, but remains challenging. By re-visiting the well-known Fe-N-C electrocatalyst that has a heme-like Fe-Nx coordination active center, herein, we report that the Fe-N-C with a minimum graphitization had an even superior cytochrome P450 (CYP)-like biocatalytic activity. Moreover, the drug metabolization by the Fe-N-C upon co-existence of other foods and drugs demonstrated a trend of inhibition similar to CYP, indicating its great potential as a replacement for <a>drug dosing guide and outcome prediction</a>. Beyond boosting the enzyme-like activity, this work would open a new vista of nanozymes with inhibited behavior for keeping up more demanding applications, enabled by further mimicking the molecular structure of enzymes.

Download Full-text