Cover Feature: Nonstandard Factor VIIa Binding Mode Reveals S1 Pocket Plasticity in Trypsin‐Like Proteases (ChemMedChem 3/2026)

Depicted on the cover is the discovery of a collapsed S1 pocket conformation in Factor VIIa induced by an oxazole based inhibitor. The magnified view shows how ligand binding remodels the active site and displaces the 215–217 loop, creating an inactive conformation. Supported by extensive molecular dynamics simulations, this work demonstrates that such collapsed states occur spontaneously in many serine proteases. These insights establish S1 pocket plasticity as a general mechanistic feature and open new avenues for inhibitor design. Stefan Güssregen, Herman Schreuder, Gerhard Hummer, and co-workers (DOI: 10.1002/cmdc.202500846). The background was created with BioRender.com.

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Publication Details

Journal
ChemMedChem
Published
2026-02-11
DOI
https://doi.org/10.1002/cmdc.70236
Primary Topic
Coagulation, Bradykinin, Polyphosphates, and Angioedema
Type
article
Field-Weighted Citation Impact
0.00
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article

Cover Feature: Nonstandard Factor VIIa Binding Mode Reveals S1 Pocket Plasticity in Trypsin‐Like Proteases (ChemMedChem 3/2026)

Hans Matter, Ahmad Reza Mehdipour, Laura A. Tesmer, Manfred Schudok et al.
ChemMedChem
Coagulation, Bradykinin, Polyphosphates, and Angioedema
article

Cover Feature: Nonstandard Factor VIIa Binding Mode Reveals S1 Pocket Plasticity in Trypsin‐Like Proteases (ChemMedChem 3/2026)

Hans Matter, Ahmad Reza Mehdipour, Laura A. Tesmer, Manfred Schudok, Stefan Güssregen, Herman Schreuder, Gerhard Heßler, Otmar Klingler, Gerhard Hummer
article en

Abstract

Depicted on the cover is the discovery of a collapsed S1 pocket conformation in Factor VIIa induced by an oxazole based inhibitor. The magnified view shows how ligand binding remodels the active site and displaces the 215–217 loop, creating an inactive conformation. Supported by extensive molecular dynamics simulations, this work demonstrates that such collapsed states occur spontaneously in many serine proteases. These insights establish S1 pocket plasticity as a general mechanistic feature and open new avenues for inhibitor design. Stefan Güssregen, Herman Schreuder, Gerhard Hummer, and co-workers (DOI: 10.1002/cmdc.202500846). The background was created with BioRender.com.

ChemMedChemVol. 21(3)
Goethe University Frankfurt (DE), Sanofi (France) (FR), Max Planck Institute of Biophysics (DE), Sanofi (Germany) (DE)
Sustainable cities and communities
Openalex Percentile: Top 59%
Coagulation, Bradykinin, Polyphosphates, and Angioedema
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