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Cathepsin B Inhibitors: Combining Dipeptide Nitriles with an Occluding Loop Recognition Element by Click Chemistry

  • An active site mapping of human cathepsin B with dipeptide nitrile inhibitors was performed for a combinatorial approach by introducing several points of diversity and stepwise optimizing the inhibitor structure. To address the occluding loop of cathepsin B by a carboxylate moiety, click chemistry to generate linker-connected molecules was applied. Inhibitor 17 exhibited Ki values of 41.3 nM, 27.3 nM or 19.2 nM, depending on the substrate and pH of the assay. Kinetic data were discussed with respect to the conformational selection and induced fit models.

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Document Type:Article
Author:Janina Schmitz, Tianwei Li, Ulrike Bartz, Michael Gütschow
Parent Title (English):ACS Med. Chem. Lett. (ACS medicinal chemistry letters)
First Page:211
Last Page:216
Pubmed Id:http://www.ncbi.nlm.nih.gov/pubmed?term=26985300
Date of first publication:2015/12/28
Departments, institutes and facilities:Fachbereich Angewandte Naturwissenschaften
Dewey Decimal Classification (DDC):5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften
Entry in this database:2016/01/21