Preferential Door for Ligand Binding and Unbinding Pathways in Inhibited Human Acetylcholinesterase-Reference-Cited by-同舟云学术

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Preferential Door for Ligand Binding and Unbinding Pathways in Inhibited Human Acetylcholinesterase

Published:2024-05-20 Issue:21 Volume:15 Page:5696-5704
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Kongkaew Nalinee¹,Hengphasatporn Kowit²^ORCID,Shigeta Yasuteru²^ORCID,Rungrotmongkol Thanyada¹³^ORCID,Harada Ryuhei²^ORCID

Affiliation:

1. Program in Bioinformatics and Computational Biology, Graduate School, Chulalongkorn University, Bangkok, 10330, Thailand

2. Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan

3. Center of Excellence in Structural and Computational Biology, Department of Biochemistry, Faculty of Science, Chulalongkorn University, Bangkok 10330, Thailand

Funder

National Research Council of Thailand

Japan Society for the Promotion of Science

Kurata Memorial Hitachi Science and Technology Foundation

Chulalongkorn University

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.4c00514

Reference28 articles.

1. Agriculture Development, Pesticide Application and Its Impact on the Environment

2. Organophosphate pesticide exposure and neurodegeneration

3. Efficacy of novel phenoxyalkyl pyridinium oximes as brain-penetrating reactivators of cholinesterase inhibited by surrogates of sarin and VX

4. Phenoxyethyl Piperidine/Morpholine Derivatives as PAS and CAS Inhibitors of Cholinesterases: Insights for Future Drug Design

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