Molecular-dynamics-simulation-driven design of a protease-responsive probe for in-vivo tumor imaging.

Jiang, Yifan; Lu, Junyan; Wang, Yaping; Zeng, Feng; Wang, Huiyuan; Peng, Huige; Huang, Min; Jiang, Hualiang et al. · Adv Mater · 2014

basic_science · Level V

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Abstract

A protease-responsive probe is developed based on a molecular dynamics simulation method for the rational design of the hairpin "turn" structure of peptides. The Förster resonance energy transfer (FRET)-based probe is used for in vivo detection of legumain, a protease overexpressed in inflammation-related carcinogenesis, providing a potential method for early cancer detection and tumor imaging, and helpful information for better understanding legumain's role in tumorigenesis.

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