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Repurposing de novo designed entities reveals phosphodiesterase 3B and cathepsin L modulators

Rodrigues, Tiago and Lin, Yen-Chu and Hartenfeller, Markus and Renner, Steffen and Lim, Yi Fan and Schneider, Gisbert (2015) Repurposing de novo designed entities reveals phosphodiesterase 3B and cathepsin L modulators. ChemComm, 51 (35). pp. 7478-7481. ISSN 1359-73451364-548X

Abstract

Using computational bioactivity prediction models we identified phosphodiesterase 3B (PDE3B) and cathepsin L as macromolecular targets of de novo designed compounds. By disclosing the most potent cathepsin L activator known to date, small molecule repurposing by target panel prediction represents a feasible route towards innovative leads for chemical biology and molecular medicine.

Item Type: Article
Date Deposited: 26 Apr 2016 23:45
Last Modified: 26 Apr 2016 23:45
URI: https://oak.novartis.com/id/eprint/24500

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