Halogen-Aromatic π Interactions Modulate Inhibitor Residence Times-Reference-Cited by-同舟云学术

Halogen-Aromatic π Interactions Modulate Inhibitor Residence Times

Published:2018-05-09 Issue:24 Volume:57 Page:7220-7224
ISSN:1433-7851
Container-title:Angewandte Chemie International Edition
language:en
Short-container-title:Angew. Chem. Int. Ed.

Author:

Heroven Christina¹,Georgi Victoria²,Ganotra Gaurav K.³⁴,Brennan Paul¹⁵,Wolfreys Finn¹⁵,Wade Rebecca C.³⁶⁷^ORCID,Fernández-Montalván Amaury E.²,Chaikuad Apirat¹⁸⁹^ORCID,Knapp Stefan¹⁸⁹¹⁰^ORCID

Affiliation:

1. Nuffield Department of Clinical Medicine; Structural Genomics Consortium; University of Oxford; Oxford OX3 7DQ UK

2. Bayer AG; Drug Discovery; Pharmaceuticals, Lead Discovery Berlin; 13353 Berlin Germany

3. Molecular and Cellular Modeling Group; Heidelberg Institute for Theoretical Studies (HITS); 69118 Heidelberg Germany

4. Heidelberg Graduate School of Mathematical and Computational Methods for the Sciences; Heidelberg University; 69120 Heidelberg Germany

5. Target Discovery Institute; Nuffield Department of Clinical Medicine; University of Oxford; Oxford OX3 7FZ UK

6. Zentrum für Molekulare Biologie der Universität Heidelberg; DKFZ-ZMBH Alliance; Heidelberg University; 69120 Heidelberg Germany

7. Interdisciplinary Center for Scientific Computing; Heidelberg University; 69120 Heidelberg Germany

8. Buchmann Institute for Molecular Life Sciences; Johann Wolfgang Goethe-University; 60438 Frankfurt am Main Germany

9. Institute for Pharmaceutical Chemistry; Johann Wolfgang Goethe-University; 60438 Frankfurt am Main Germany

10. German Cancer Network (DKTK); Frankfurt/Mainz site; 60438 Frankfurt am Main Germany

Funder

IMI program K4DD

Publisher

Wiley

Subject

General Chemistry,Catalysis

Reference28 articles.

1. Drug–target residence time and its implications for lead optimization

2. The ins and outs of selective kinase inhibitor development

3. A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics

4. Exploration of Type II Binding Mode: A Privileged Approach for Kinase Inhibitor Focused Drug Discovery?

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