SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2– Benzodiazepine Site-Reference-Cited by-同舟云学术

SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2– Benzodiazepine Site

Published:2018-07-20 Issue:8 Volume:58 Page:1682-1696
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Siebert David C. B.¹^ORCID,Wieder Marcus²³^ORCID,Schlener Lydia²,Scholze Petra⁴^ORCID,Boresch Stefan³,Langer Thierry²,Schnürch Michael¹^ORCID,Mihovilovic Marko D.¹,Richter Lars²^ORCID,Ernst Margot⁵,Ecker Gerhard F.²^ORCID

Affiliation:

1. Institute of Applied Synthetic Chemistry, TU Wien, Getreidemarkt 9/163, 1060 Vienna, Austria

2. Department of Pharmaceutical Chemistry, University of Vienna, Althanstrasse 14, 1090 Vienna, Austria

3. Faculty of Chemistry, Department of Computational Biological Chemistry, University of Vienna, Währingerstrasse 17, 1090 Vienna, Austria

4. Department of Pathobiology of the Nervous System, Center for Brain Research, Medical University of Vienna, Spitalgasse 4, 1090 Vienna, Austria

5. Department of Molecular Neurosciences, Center for Brain Research, Medical University of Vienna, Spitalgasse 4, 1090 Vienna, Austria

Funder

Austrian Science Fund

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.8b00199

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1. Application of the Three-Dimensional Structures of Protein Target Molecules in Structure-Based Drug Design

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