Understanding the enzyme–ligand complex: insights from all-atom simulations of butyrylcholinesterase inhibition-Reference-Cited by-同舟云学术

Understanding the enzyme–ligand complex: insights from all-atom simulations of butyrylcholinesterase inhibition

Published:2019-04-07 Issue:4 Volume:38 Page:1028-1041
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Alvarado Walter¹,Bremer Parker Ladd²,Choy Angela³,Dinh Helen N.²,Eung Aingty⁴,Gonzalez Jeannette⁵,Ly Phillippe²,Tran Trina²,Nakayama Kensaku²,Schwans Jason P.²,Sorin Eric J.²

Affiliation:

1. Department of Physics & Astronomy, California State University Long Beach, Long Beach, CA, USA;

2. Department of Chemistry & Biochemistry, California State University Long Beach, Long Beach, CA, USA;

3. Department of Chemical Engineering, California State University Long Beach, Long Beach, CA, USA;

4. Department of Computer Engineering & Computer Science, California State University Long Beach, Long Beach, CA, USA;

5. Department of Biological Sciences, California State University Long Beach, Long Beach, CA, USA

Funder

NIH National Institute of General Medical Sciences

NSF MRI program

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2019.1596836

Reference55 articles.

1. ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

2. The synthesis of novel sulfamides derived from β-benzylphenethylamines as acetylcholinesterase, butyrylcholinesterase and carbonic anhydrase enzymes inhibitors

3. The cloned butyrylcholinesterase (BCHE) gene maps to a single chromosome site, 3q26

4. Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes

5. Molecular dynamics with coupling to an external bath

Cited by 7 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Discovery, Structure-Based Modification, In Vitro, In Vivo, and In Silico Exploration of m-Sulfamoyl Benzoamide Derivatives as Selective Butyrylcholinesterase Inhibitors for Treating Alzheimer’s Disease;ACS Chemical Neuroscience;2024-03-07

2. A Hands-On Collaboration-Ready Single- or Interdisciplinary Computational Exercise in Molecular Recognition and Drug Design;Education Sciences;2024-01-30

3. Insights from incorporating quantum computing into drug design workflows;Bioinformatics;2022-12-07

4. Design, Synthesis, Biological Activity, and Molecular Modeling of Novel Spiroquinazoline Derivatives as Acetylcholinesterase Inhibitors for Alzheimer Disease;Polycyclic Aromatic Compounds;2022-11-15

5. A Comprehensive Review of Cholinesterase Modeling and Simulation;Biomolecules;2021-04-15