Redirecting the Peptide Cleavage Causes Protease Inactivation

C Christian Breuer (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) J Jim Küppers (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) A Anna‐Christina Schulz‐Fincke (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) A Anna Heilos (Institute for Physical and Theoretical Chemistry Julius‐Maximilians‐Universität Würzburg Emil‐Fischer‐Str. 42 97074 Würzburg Germany) C Carina Lemke (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) P Petra Spiwoková (Institute of Organic Chemistry and Biochemistry Czech Academy of Sciences Flemingovo n. 2 16610 Prague Czech Republic) J Janina Schmitz (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) L Laura Cremer (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) M Marta Frigolé‐Vivas (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) M Michael Lülsdorff (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) M Matthias D. Mertens (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) F Filip Wichterle (Institute of Organic Chemistry and Biochemistry Czech Academy of Sciences Flemingovo n. 2 16610 Prague Czech Republic) M Miloš Apeltauer (Institute of Organic Chemistry and Biochemistry Czech Academy of Sciences Flemingovo n. 2 16610 Prague Czech Republic) M Martin Horn E Erik Gilberg (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany) N Norbert Furtmann J Jürgen Bajorath U Ulrike Bartz (Department of Natural Sciences University of Applied Sciences Bonn‐Rhein‐Sieg von‐Liebig‐Str. 20 53359 Rheinbach Germany) B Bernd Engels (Institute for Physical and Theoretical Chemistry, Julius-Maximilians-Universität Würzburg, Emil-Fischer-Straße 42, Würzburg 97074, Germany) M Michael Mareš (Institute of Organic Chemistry and Biochemistry Czech Academy of Sciences Flemingovo n. 2 16610 Prague Czech Republic) M Michael Gütschow (Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany)

Abstract

Abstract Cysteine and serine proteases cleave peptides through covalent catalysis by generating a transient adduct with the N‐terminal part of the substrate after releasing its C‐terminal part. We demonstrate the unique redirection of this event leading to strong enzyme inactivation. For targeting human cathepsin B, a cysteine protease of significant therapeutic importance, we designed tailored peptidomimetics with a variety of dipeptide fragments directed toward the occluding loop and equipped with numerous N‐terminal carbamate warheads. The carbamate deprotonation catalyzed by the active site thiolate initiates the redirected cleavage. The C‐terminal part of the inhibitors remains covalently attached to the protease. Hydrolysis of such carbamoyl‐enzyme complexes is catalytically unsupported rendering inhibition irreversible. This novel mechanism of action comprises a significant extension of the covalent drug space.

Article Details

Volume / Issue Vol. 64, Issue 31
Published July 28, 2025
ISSN 1433-7851
Publisher Wiley

Journal Info

Angewandte Chemie International Edition

Wiley

ISSN: 1433-7851 Physical Sciences

Authors (21)

C

Christian Breuer

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

J

Jim Küppers

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

A

Anna‐Christina Schulz‐Fincke

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

A

Anna Heilos

Institute for Physical and Theoretical Chemistry Julius‐Maximilians‐Universität Würzburg Emil‐Fischer‐Str. 42 97074 Würzburg Germany

C

Carina Lemke

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

P

Petra Spiwoková

Institute of Organic Chemistry and Biochemistry Czech Academy of Sciences Flemingovo n. 2 16610 Prague Czech Republic

J

Janina Schmitz

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

L

Laura Cremer

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

M

Marta Frigolé‐Vivas

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

M

Michael Lülsdorff

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

M

Matthias D. Mertens

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

F

Filip Wichterle

Institute of Organic Chemistry and Biochemistry Czech Academy of Sciences Flemingovo n. 2 16610 Prague Czech Republic

M

Miloš Apeltauer

Institute of Organic Chemistry and Biochemistry Czech Academy of Sciences Flemingovo n. 2 16610 Prague Czech Republic

M

Martin Horn

E

Erik Gilberg

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany

N

Norbert Furtmann

J

Jürgen Bajorath

U

Ulrike Bartz

Department of Natural Sciences University of Applied Sciences Bonn‐Rhein‐Sieg von‐Liebig‐Str. 20 53359 Rheinbach Germany

B

Bernd Engels

Institute for Physical and Theoretical Chemistry, Julius-Maximilians-Universität Würzburg, Emil-Fischer-Straße 42, Würzburg 97074, Germany

M

Michael Mareš

Institute of Organic Chemistry and Biochemistry Czech Academy of Sciences Flemingovo n. 2 16610 Prague Czech Republic

M

Michael Gütschow

Pharmaceutical Institute Pharmaceutical & Medicinal Chemistry University of Bonn An der Immenburg 4 53121 Bonn Germany