Ortho-7 bound to the active-site gorge of free and OP-conjugated acetylcholinesterase: Cation-π interactions-Reference-Cited by-同舟云学术

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Ortho-7 bound to the active-site gorge of free and OP-conjugated acetylcholinesterase: Cation-π interactions

Published:2015-10-26 Issue:1 Volume:105 Page:10-20
ISSN:0006-3525
Container-title:Biopolymers
language:en
Short-container-title:Biopolymers

Author:

Pathak Arup Kumar¹,Bandyopadhyay Tusar¹

Affiliation:

1. Theoretical Chemistry Section, Bhabha Atomic Research Centre; Mumbai 400085 India

Funder

DAE under project XII-N-R&D-02.04/Theoretical & Computational Chemistry of Complex Systems

Publisher

Wiley

Subject

Organic Chemistry,Biomaterials,Biochemistry,General Medicine,Biophysics

Reference81 articles.

1. Acetylcholinesterase: enzyme structure, reaction dynamics, and virtual transition states

2. Serine Protease Mechanism and Specificity

3. The Cholinesterases: From Genes to Proteins

4. Acetylcholinesterase :A Versatile Enzyme of Nervous System

5. Atomic Structure of Acetylcholinesterase from Torpedo californica : A Prototypic Acetylcholine-Binding Protein

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1. In silico drug design and molecular docking of novel amidophosphonates and sulfamidophosphonates as inhibitors of urokinase-type plasminogen activator;Journal of the Indian Chemical Society;2022-09

2. Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies;Journal of Computer-Aided Molecular Design;2018-07

3. Dynamic Mechanism of a Fluorinated Oxime Reactivator Unbinding from AChE Gorge in Polarizable Water;The Journal of Physical Chemistry B;2018-03-19

4. Unbinding of fluorinated oxime drug from the AChE gorge in polarizable water: a well-tempered metadynamics study;Physical Chemistry Chemical Physics;2017

5. Protein–Drug Interactions with Effective Polarization in Polarizable Water: Oxime Unbinding from AChE Gorge;The Journal of Physical Chemistry B;2015-10-30

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