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Automated Docking with Protein Flexibility in the Design of Femtomolar “Click Chemistry” Inhibitors of Acetylcholinesterase

The use of computer-aided structure-based drug design prior to synthesis has proven to be generally valuable in suggesting improved binding analogues of existing ligands.(1) Here we describe the application of the program AutoDock(2) to the design of a focused library that was used in the “click che...

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Sonraí Bibleagrafaíochta
Main Authors: Morris, Garrett M., Green, Luke G., Radić, Zoran, Taylor, Palmer, Sharpless, K. Barry, Olson, Arthur J., Grynszpan, Flavio
Formáid: Artigo
Teanga:Inglês
Foilsithe: 2013
Ábhair:
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC3698963/
https://ncbi.nlm.nih.gov/pubmed/23451944
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci300545a
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