相似却又不同：一对对映异构体与乙酰胆碱酯酶结合的热力学和结构表征 - Suppr

Similar but different: thermodynamic and structural characterization of a pair of enantiomers binding to acetylcholinesterase.

作者信息

Berg Lotta, Niemiec Moritz S, Qian Weixing, Andersson C David, Wittung-Stafshede Pernilla, Ekström Fredrik, Linusson Anna

机构信息

Department of Chemistry, Umeå University, 90187 Umeå, Sweden.

出版信息

Angew Chem Int Ed Engl. 2012 Dec 14;51(51):12716-20. doi: 10.1002/anie.201205113. Epub 2012 Nov 19.

DOI:10.1002/anie.201205113

PMID:23161758

Abstract

摘要

相似文献

Angew Chem Int Ed Engl. 2012 Dec 14;51(51):12716-20. doi: 10.1002/anie.201205113. Epub 2012 Nov 19.

Docking study of enantiomeric fonofos oxon bound to the active site of Torpedo californica acetylcholinesterase.

Bioorg Med Chem. 2000 Mar;8(3):653-6. doi: 10.1016/s0968-0896(99)00315-6.

Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor.

J Am Chem Soc. 2006 Apr 12;128(14):4526-7. doi: 10.1021/ja058683b.

Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors.

J Med Chem. 2013 Oct 10;56(19):7615-24. doi: 10.1021/jm400990p. Epub 2013 Sep 19.

Structures of human acetylcholinesterase in complex with pharmacologically important ligands.

J Med Chem. 2012 Nov 26;55(22):10282-6. doi: 10.1021/jm300871x. Epub 2012 Nov 12.

[Conformational differences in the sorption of choline ligands at the active site of acetylcholinesterase].

Bioorg Khim. 1995 May;21(5):323-9.

Synthesis and evaluation of a new series of tri-, di-, and mono-N-alkylcarbamylphloroglucinols as bulky inhibitors of acetylcholinesterase.

Chem Res Toxicol. 2012 Jul 16;25(7):1462-71. doi: 10.1021/tx300119a. Epub 2012 Jun 25.

Synthesis and biological evaluation of 3,6-diaryl-7H-thiazolo[3,2-b] [1,2,4]triazin-7-one derivatives as acetylcholinesterase inhibitors.

Arch Pharm Res. 2010 Oct;33(10):1641-9. doi: 10.1007/s12272-010-1013-8. Epub 2010 Oct 30.

Acetylcholinesterase complexed with bivalent ligands related to huperzine a: experimental evidence for species-dependent protein-ligand complementarity.

J Am Chem Soc. 2003 Jan 15;125(2):363-73. doi: 10.1021/ja021111w.

The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.

J Am Chem Soc. 2004 Dec 1;126(47):15405-11. doi: 10.1021/ja0466154.

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Enzyme Dynamics Determine the Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes.

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An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet.

Molecules. 2017 Aug 30;22(9):1433. doi: 10.3390/molecules22091433.

Structure of a prereaction complex between the nerve agent sarin, its biological target acetylcholinesterase, and the antidote HI-6.

Proc Natl Acad Sci U S A. 2016 May 17;113(20):5514-9. doi: 10.1073/pnas.1523362113. Epub 2016 May 2.

Acetylcholinesterases from the Disease Vectors Aedes aegypti and Anopheles gambiae: Functional Characterization and Comparisons with Vertebrate Orthologues.

PLoS One. 2015 Oct 8;10(10):e0138598. doi: 10.1371/journal.pone.0138598. eCollection 2015.

Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates.

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Similar but different: thermodynamic and structural characterization of a pair of enantiomers binding to acetylcholinesterase.

作者信息

Berg Lotta, Niemiec Moritz S, Qian Weixing, Andersson C David, Wittung-Stafshede Pernilla, Ekström Fredrik, Linusson Anna

机构信息

Department of Chemistry, Umeå University, 90187 Umeå, Sweden.

出版信息

Angew Chem Int Ed Engl. 2012 Dec 14;51(51):12716-20. doi: 10.1002/anie.201205113. Epub 2012 Nov 19.

DOI:10.1002/anie.201205113

PMID:23161758

Abstract

摘要

相似文献

Angew Chem Int Ed Engl. 2012 Dec 14;51(51):12716-20. doi: 10.1002/anie.201205113. Epub 2012 Nov 19.

Docking study of enantiomeric fonofos oxon bound to the active site of Torpedo californica acetylcholinesterase.

Bioorg Med Chem. 2000 Mar;8(3):653-6. doi: 10.1016/s0968-0896(99)00315-6.

Conformational flexibility in the peripheral site of Torpedo californica acetylcholinesterase revealed by the complex structure with a bifunctional inhibitor.

J Am Chem Soc. 2006 Apr 12;128(14):4526-7. doi: 10.1021/ja058683b.

Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors.

J Med Chem. 2013 Oct 10;56(19):7615-24. doi: 10.1021/jm400990p. Epub 2013 Sep 19.

Structures of human acetylcholinesterase in complex with pharmacologically important ligands.

J Med Chem. 2012 Nov 26;55(22):10282-6. doi: 10.1021/jm300871x. Epub 2012 Nov 12.

[Conformational differences in the sorption of choline ligands at the active site of acetylcholinesterase].

Bioorg Khim. 1995 May;21(5):323-9.

Synthesis and evaluation of a new series of tri-, di-, and mono-N-alkylcarbamylphloroglucinols as bulky inhibitors of acetylcholinesterase.

Chem Res Toxicol. 2012 Jul 16;25(7):1462-71. doi: 10.1021/tx300119a. Epub 2012 Jun 25.

Synthesis and biological evaluation of 3,6-diaryl-7H-thiazolo[3,2-b] [1,2,4]triazin-7-one derivatives as acetylcholinesterase inhibitors.

Arch Pharm Res. 2010 Oct;33(10):1641-9. doi: 10.1007/s12272-010-1013-8. Epub 2010 Oct 30.

Acetylcholinesterase complexed with bivalent ligands related to huperzine a: experimental evidence for species-dependent protein-ligand complementarity.

J Am Chem Soc. 2003 Jan 15;125(2):363-73. doi: 10.1021/ja021111w.

The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.

J Am Chem Soc. 2004 Dec 1;126(47):15405-11. doi: 10.1021/ja0466154.

引用本文的文献

The Molecular Properties of Honey Bee Acetylcholinesterase Reveal Opportunities to Avoid Off-Target Effects in Insecticide Discovery.

Chemistry. 2025 Jul 8;31(38):e202500664. doi: 10.1002/chem.202500664. Epub 2025 Jun 16.

Enzyme Dynamics Determine the Potency and Selectivity of Inhibitors Targeting Disease-Transmitting Mosquitoes.

ACS Infect Dis. 2024 Oct 11;10(10):3664-3680. doi: 10.1021/acsinfecdis.4c00531. Epub 2024 Sep 18.

An Unusual Dimeric Inhibitor of Acetylcholinesterase: Cooperative Binding of Crystal Violet.

Molecules. 2017 Aug 30;22(9):1433. doi: 10.3390/molecules22091433.

Structure of a prereaction complex between the nerve agent sarin, its biological target acetylcholinesterase, and the antidote HI-6.

Proc Natl Acad Sci U S A. 2016 May 17;113(20):5514-9. doi: 10.1073/pnas.1523362113. Epub 2016 May 2.

Acetylcholinesterases from the Disease Vectors Aedes aegypti and Anopheles gambiae: Functional Characterization and Comparisons with Vertebrate Orthologues.

PLoS One. 2015 Oct 8;10(10):e0138598. doi: 10.1371/journal.pone.0138598. eCollection 2015.

Discovery of New Classes of Compounds that Reactivate Acetylcholinesterase Inhibited by Organophosphates.

Chembiochem. 2015 Oct 12;16(15):2205-2215. doi: 10.1002/cbic.201500348. Epub 2015 Sep 9.

Similar but different: thermodynamic and structural characterization of a pair of enantiomers binding to acetylcholinesterase.

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Similar but different: thermodynamic and structural characterization of a pair of enantiomers binding to acetylcholinesterase.

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