Discovery of drug‐like acetylcholinesterase inhibitors by rapid virtual screening of a 6.9 million compound database

2021 ◽  
Author(s):  
Jared A. Miles ◽  
Jia Hui Ng ◽  
B. Yogi Sreenivas ◽  
Charlotte Courageux ◽  
Alexandre Igert ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Acetylcholinesterase Inhibitors ◽  
Compound Database

scholarly journals Discovery of new acetylcholinesterase inhibitors for Alzheimer’s disease: virtual screening and in vitro characterisation

2021 ◽  
Vol 36 (1) ◽  
pp. 491-496
Author(s):  
Benoit David ◽  
Pascal Schneider ◽  
Philipp Schäfer ◽  
Jörg Pietruszka ◽  
Holger Gohlke
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Virtual Screening ◽  
Acetylcholinesterase Inhibitors

scholarly journals Identification of novel acetylcholinesterase inhibitors designed by pharmacophore-based virtual screening, molecular docking and bioassay

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
Cheongyun Jang ◽  
Dharmendra K. Yadav ◽  
Lalita Subedi ◽  
Ramu Venkatesan ◽  
Arramshetti Venkanna ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Virtual Screening ◽  
Acetylcholinesterase Inhibitors

Novel Acetylcholinesterase Inhibitors Identified from ZINC Database Using Docking‐Based Virtual Screening for Alzheimer's Disease.

2020 ◽  
Vol 5 (12) ◽  
pp. 3593-3599
Author(s):  
Ashraf Ahmed Ali Abdusalam ◽  
Murugaiyah Vikneswaran
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Virtual Screening ◽  
Acetylcholinesterase Inhibitors ◽  
Zinc Database

Discovery of new acetylcholinesterase inhibitors with small core structures through shape-based virtual screening

2015 ◽  
Vol 25 (17) ◽  
pp. 3442-3446 ◽  
Author(s):  
Yao Chen ◽  
Zong-liang Liu ◽  
Ting-ming Fu ◽  
Wei Li ◽  
Xiao-li Xu ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Acetylcholinesterase Inhibitors ◽  
Small Core

Considerations in Compound Database Preparation“Hidden” Impact on Virtual Screening Results

2005 ◽  
Vol 45 (6) ◽  
pp. 1908-1919 ◽  
Author(s):  
Andrew J. S. Knox ◽  
Mary J. Meegan ◽  
Giorgio Carta ◽  
David G. Lloyd
Keyword(s):  
Virtual Screening ◽  
Compound Database

Discovering Potassium Channel Blockers from Synthetic Compound Database by Using Structure-Based Virtual Screening in Conjunction with Electrophysiological Assay

2007 ◽  
Vol 50 (1) ◽  
pp. 83-93 ◽  
Author(s):  
Hong Liu ◽  
Zhao-Bing Gao ◽  
Zhiyi Yao ◽  
Suxin Zheng ◽  
Yang Li ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Potassium Channel ◽  
Channel Blockers ◽  
Synthetic Compound ◽  
Potassium Channel Blockers ◽  
Compound Database

Discovery of dual binding site acetylcholinesterase inhibitors identified by pharmacophore modeling and sequential virtual screening techniques

2011 ◽  
Vol 21 (4) ◽  
pp. 1105-1112 ◽  
Author(s):  
Shikhar Gupta ◽  
Adyary Fallarero ◽  
Päivi Järvinen ◽  
Daniela Karlsson ◽  
Mark S. Johnson ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Binding Site ◽  
Acetylcholinesterase Inhibitors ◽  
Pharmacophore Modeling ◽  
Screening Techniques

Identification and characterization of novel sodium/potassium-ATPase inhibitors by virtual screening of a compound database

2007 ◽  
Vol 15 (18) ◽  
pp. 6062-6070 ◽  
Author(s):  
David T. Stanton ◽  
Julie Ankenbauer ◽  
David Rothgeb ◽  
Matthew Draper ◽  
Stefan Paula
Keyword(s):  
Virtual Screening ◽  
Sodium Potassium ◽  
Atpase Inhibitors ◽  
Compound Database ◽  
Potassium Atpase ◽  
Identification And Characterization

Ligand-based virtual screening, molecular docking, and molecular dynamics of eugenol analogs as potential acetylcholinesterase inhibitors with biological activity against Spodoptera frugiperda

2021 ◽  
Author(s):  
Domingo Méndez-Álvarez ◽  
Verónica Herrera-Mayorga ◽  
Alfredo Juárez-Saldivar ◽  
Alma D. Paz-González ◽  
Eyra Ortiz-Pérez ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Biological Activity ◽  
Molecular Docking ◽  
Virtual Screening ◽  
Spodoptera Frugiperda ◽  
Acetylcholinesterase Inhibitors
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