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 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

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

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
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