Literature DB >> 26506404

The Role of Target Binding Kinetics in Drug Discovery.

Dong Guo1, Laura H Heitman1, Adriaan P IJzerman2.   

Abstract

Traditionally structure-activity/affinity relationships (SAR) have dominated research in medicinal chemistry. However, structure-kinetics relationships (SKR) can be very informative too. In this viewpoint we explore the molecular determinants of binding kinetics and discuss challenges for future binding kinetics studies. A scheme for future kinetics-directed drug design and discovery is also proposed.
© 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords:  G protein-coupled receptors; binding kinetics; residence time; structure-affinity relationships; structure-kinetics relationships

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Year:  2015        PMID： 26506404     DOI： 10.1002/cmdc.201500310

Source DB:  PubMed          Journal:  ChemMedChem        ISSN： 1860-7179            Impact factor:   3.466


  10 in total

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Journal:  Biophys J       Date:  2017-07-11       Impact factor: 4.033

2.  Enhancing Drug Residence Time by Shielding of Intra-Protein Hydrogen Bonds: A Case Study on CCR2 Antagonists.

Authors:  Aniket Magarkar; Gisela Schnapp; Anna-Katharina Apel; Daniel Seeliger; Christofer S Tautermann
Journal:  ACS Med Chem Lett       Date:  2019-02-07       Impact factor: 4.345

3.  The Added Value of Assessing Ligand-Receptor Binding Kinetics in Drug Discovery.

Authors:  Dong Guo; Laura H Heitman; Adriaan P IJzerman
Journal:  ACS Med Chem Lett       Date:  2016-08-19       Impact factor: 4.345

4.  Label-free NMR-based dissociation kinetics determination.

Authors:  Pablo Trigo-Mouriño; Christian Griesinger; Donghan Lee
Journal:  J Biomol NMR       Date:  2017-11-16       Impact factor: 2.835

Review 5.  Perspective: Implications of Ligand-Receptor Binding Kinetics for Therapeutic Targeting of G Protein-Coupled Receptors.

Authors:  Wijnand J C van der Velden; Laura H Heitman; Mette M Rosenkilde
Journal:  ACS Pharmacol Transl Sci       Date:  2020-03-18

6.  Structural Basis and Binding Kinetics of Vaborbactam in Class A β-Lactamase Inhibition.

Authors:  Orville A Pemberton; Ruslan Tsivkovski; Maxim Totrov; Olga Lomovskaya; Yu Chen
Journal:  Antimicrob Agents Chemother       Date:  2020-09-21       Impact factor: 5.191

7.  Engineering Factor Xa Inhibitor with Multiple Platelet-Binding Sites Facilitates its Platelet Targeting.

Authors:  Yuanjun Zhu; Ruyi Li; Yuan Lin; Mengyang Shui; Xiaoyan Liu; Huan Chen; Yinye Wang
Journal:  Sci Rep       Date:  2016-07-19       Impact factor: 4.379

8.  A Scintillation Proximity Assay for Real-Time Kinetic Analysis of Chemokine-Chemokine Receptor Interactions.

Authors:  Stefanie Alexandra Eberle; Martin Gustavsson
Journal:  Cells       Date:  2022-04-13       Impact factor: 7.666

9.  Measurement of Ligand-Target Residence Times by 1H Relaxation Dispersion NMR Spectroscopy.

Authors:  Thomas Moschen; Sarina Grutsch; Michael A Juen; Christoph H Wunderlich; Christoph Kreutz; Martin Tollinger
Journal:  J Med Chem       Date:  2016-11-29       Impact factor: 7.446

10.  Structure-Affinity Relationships and Structure-Kinetic Relationships of 1,2-Diarylimidazol-4-carboxamide Derivatives as Human Cannabinoid 1 Receptor Antagonists.

Authors:  Lizi Xia; Henk de Vries; Eelke B Lenselink; Julien Louvel; Michael J Waring; Leifeng Cheng; Sara Pahlén; Maria J Petersson; Peter Schell; Roine I Olsson; Laura H Heitman; Robert J Sheppard; Adriaan P IJzerman
Journal:  J Med Chem       Date:  2017-11-21       Impact factor: 7.446
  10 in total

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