Literature DB >> 23035744

Structures of human acetylcholinesterase in complex with pharmacologically important ligands.

Jonah Cheung1, Michael J Rudolph, Fiana Burshteyn, Michael S Cassidy, Ebony N Gary, James Love, Matthew C Franklin, Jude J Height.   

Abstract

Human acetylcholinesterase (AChE) is a significant target for therapeutic drugs. Here we present high resolution crystal structures of human AChE, alone and in complexes with drug ligands; donepezil, an Alzheimer's disease drug, binds differently to human AChE than it does to Torpedo AChE. These crystals of human AChE provide a more accurate platform for further drug development than previously available.

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Year:  2012        PMID： 23035744     DOI： 10.1021/jm300871x

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


  169 in total

1.  Productive reorientation of a bound oxime reactivator revealed in room temperature X-ray structures of native and VX-inhibited human acetylcholinesterase.

Authors:  Oksana Gerlits; Xiaotian Kong; Xiaolin Cheng; Troy Wymore; Donald K Blumenthal; Palmer Taylor; Zoran Radić; Andrey Kovalevsky
Journal:  J Biol Chem       Date:  2019-05-28       Impact factor: 5.157

2.  Enthalpic Breakdown of Water Structure on Protein Active-Site Surfaces.

Authors:  Kamran Haider; Lauren Wickstrom; Steven Ramsey; Michael K Gilson; Tom Kurtzman
Journal:  J Phys Chem B       Date:  2016-06-02       Impact factor: 2.991

3.  A new crystal form of human acetylcholinesterase for exploratory room-temperature crystallography studies.

Authors:  Oksana Gerlits; Kwok-Yiu Ho; Xiaolin Cheng; Donald Blumenthal; Palmer Taylor; Andrey Kovalevsky; Zoran Radić
Journal:  Chem Biol Interact       Date:  2019-06-07       Impact factor: 5.192

4.  Synthesis and Molecular Properties of Nerve Agent Reactivator HLö-7 Dimethanesulfonate.

Authors:  Fu-Lian Hsu; Su Y Bae; Jack McGuire; Dana R Anderson; Stephanie M Bester; Jude J Height; Scott D Pegan; Andrew J Walz
Journal:  ACS Med Chem Lett       Date:  2019-03-28       Impact factor: 4.345

5.  Exploration of the Acetylcholinesterase Inhibitory Activity of Some Alkaloids from Amaryllidaceae Family by Molecular Docking In Silico.

Authors:  Willian O Castillo-Ordóñez; Elvira R Tamarozzi; Gabriel M da Silva; Andrés F Aristizabal-Pachón; Elza T Sakamoto-Hojo; Catarina S Takahashi; Silvana Giuliatti
Journal:  Neurochem Res       Date:  2017-05-11       Impact factor: 3.996

6.  Potential acetylcholinesterase inhibitors: molecular docking, molecular dynamics, and in silico prediction.

Authors:  Alessandra S Kiametis; Mônica A Silva; Luiz A S Romeiro; João B L Martins; Ricardo Gargano
Journal:  J Mol Model       Date:  2017-02-09       Impact factor: 1.810

7.  A 7-methoxytacrine-4-pyridinealdoxime hybrid as a novel prophylactic agent with reactivation properties in organophosphate intoxication.

Authors:  E Nepovimova; J Korabecny; R Dolezal; T D Nguyen; D Jun; O Soukup; M Pasdiorova; P Jost; L Muckova; D Malinak; L Gorecki; K Musilek; Kamil Kuca
Journal:  Toxicol Res (Camb)       Date:  2016-05-25       Impact factor: 3.524

8.  Synthesis of Quercetin-Metal Complexes, In Vitro and In Silico Anticholinesterase and Antioxidant Evaluation, and In Vivo Toxicological and Anxiolitic Activities.

Authors:  Wildson Max Barbosa da Silva; Solange de Oliveira Pinheiro; Daniela Ribeiro Alves; Jane Eire Silva Alencar de Menezes; Francisco Ernani Alves Magalhães; Francisca Crislândia Oliveira Silva; Jacilene Silva; Emmanuel Silva Marinho; Selene Maia de Morais
Journal:  Neurotox Res       Date:  2019-12-18       Impact factor: 3.911

9.  Correlation of the dynamics of native human acetylcholinesterase and its inhibited huperzine A counterpart from sub-picoseconds to nanoseconds.

Authors:  M Trapp; M Tehei; M Trovaslet; F Nachon; N Martinez; M M Koza; M Weik; P Masson; J Peters
Journal:  J R Soc Interface       Date:  2014-08-06       Impact factor: 4.118

Review 10.  Acetylcholinesterase complexes with the natural product inhibitors dihydrotanshinone I and territrem B: binding site assignment from inhibitor competition and validation through crystal structure determination.

Authors:  Jonah Cheung; Veena Beri; Kazuro Shiomi; Terrone L Rosenberry
Journal:  J Mol Neurosci       Date:  2014-02-27       Impact factor: 3.444
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