Improving binding entropy by higher ligand symmetry? – A case study with human matriptase-Reference-Cited by-同舟云学术

Improving binding entropy by higher ligand symmetry? – A case study with human matriptase

Published:2023 Issue:5 Volume:14 Page:969-982
ISSN:2632-8682
Container-title:RSC Medicinal Chemistry
language:en
Short-container-title:RSC Med. Chem.

Author:

Hammerschmidt Stefan J.¹^ORCID,Maus Hannah¹^ORCID,Weldert Annabelle C.¹^ORCID,Gütschow Michael²^ORCID,Kersten Christian¹^ORCID

Affiliation:

1. Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg-University, Staudingerweg 5, 55128 Mainz, Germany

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

Abstract

Highly symmetric ligands can bind in multiple identical binding modes. The improved binding affinity arising from higher entropy was elucidated in this work.

Funder

Deutsche Forschungsgemeinschaft

Publisher

Royal Society of Chemistry (RSC)

Subject

Organic Chemistry,Drug Discovery,Pharmaceutical Science,Pharmacology,Molecular Medicine,Biochemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/MD/D3MD00125C

Reference57 articles.

1. Binding Affinity via Docking: Fact and Fiction

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3. Isothermal Titration Calorimetry of Protein–Protein Interactions

4. Dissecting the Hydrophobic Effect on the Molecular Level: The Role of Water, Enthalpy, and Entropy in Ligand Binding to Thermolysin

5. Ligand Binding Thermodynamics in Drug Discovery: Still a Hot Tip?

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