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Literature DB >> 21184410

Systematic investigation of halogen bonding in protein-ligand interactions.

Leo A Hardegger¹, Bernd Kuhn, Beat Spinnler, Lilli Anselm, Robert Ecabert, Martine Stihle, Bernard Gsell, Ralf Thoma, Joachim Diez, Jörg Benz, Jean-Marc Plancher, Guido Hartmann, David W Banner, Wolfgang Haap, François Diederich.

Abstract

Entities: Chemical

Mesh：

Substances：
Halogens
Ligands
Proteins

Year: 2011 PMID： 21184410 DOI： 10.1002/anie.201006781

Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN： 1433-7851 Impact factor: 15.336

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Cited

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62 in total

1. Transmembrane anion transport mediated by halogen-bond donors.

Authors: Andreas Vargas Jentzsch; Daniel Emery; Jiri Mareda; Susanta K Nayak; Pierangelo Metrangolo; Giuseppe Resnati; Naomi Sakai; Stefan Matile
Journal: Nat Commun Date: 2012-06-19 Impact factor: 14.919

2. Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds.

Authors: Kevin E Riley; Jane S Murray; Jindřich Fanfrlík; Jan Rezáč; Ricardo J Solá; Monica C Concha; Felix M Ramos; Peter Politzer
Journal: J Mol Model Date: 2012-05-29 Impact factor: 1.810

3. A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions.

Authors: Zhuo Yang; Yingtao Liu; Zhaoqiang Chen; Zhijian Xu; Jiye Shi; Kaixian Chen; Weiliang Zhu
Journal: J Mol Model Date: 2015-05-10 Impact factor: 1.810

4. Crystallographic fragment-based drug discovery: use of a brominated fragment library targeting HIV protease.

Authors: Theresa Tiefenbrunn; Stefano Forli; Meaghan Happer; Ana Gonzalez; Yingssu Tsai; Michael Soltis; John H Elder; Arthur J Olson; Charles D Stout
Journal: Chem Biol Drug Des Date: 2013-10-30 Impact factor: 2.817

5. Use of Phenoxyaniline Analogues To Generate Biochemical Insights into the Interactio n of Polybrominated Diphenyl Ether with CYP2B Enzymes.

Authors: Chao Chen; Jingbao Liu; James R Halpert; P Ross Wilderman
Journal: Biochemistry Date: 2017-12-19 Impact factor: 3.162

Systematic investigation of halogen bonding in protein-ligand interactions.

1. Transmembrane anion transport mediated by halogen-bond donors.

2. Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds.

3. A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions.

4. Crystallographic fragment-based drug discovery: use of a brominated fragment library targeting HIV protease.

5. Use of Phenoxyaniline Analogues To Generate Biochemical Insights into the Interactio n of Polybrominated Diphenyl Ether with CYP2B Enzymes.

6. Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.

7. Treatment of Halogen Bonding in the OPLS-AA Force Field; Application to Potent Anti-HIV Agents.

Review 8. Halogen bonding (X-bonding): a biological perspective.

9. Insights into the strength and nature of carbene···halogen bond interactions: a theoretical perspective.

10. Preparation and Characterization of Tetrabromopyrrole Debrominase From Marine Proteobacteria.