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rdf:type |
|
|
lifeskim:mentions |
|
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pubmed:issue |
17
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pubmed:dateCreated |
2007-8-16
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pubmed:abstractText |
AP2238 was the first compound published to bind both anionic sites of the human acetylcholinesterase, allowing the simultaneous inhibition of the catalytic and the amyloid-beta pro-aggregating activities of AChE. Here we attempted to derive a comprehensive structure-activity relationship picture for this molecule, affording 28 derivatives for which AChE and BChE inhibitory activities were evaluated. Selected compounds were also tested for their ability to prevent the AChE-induced Abeta-aggregation. Moreover, docking simulations and molecular orbital calculations were performed.
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pubmed:language |
eng
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pubmed:journal |
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|
pubmed:citationSubset |
IM
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pubmed:chemical |
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pubmed:status |
MEDLINE
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pubmed:month |
Aug
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pubmed:issn |
0022-2623
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pubmed:author |
|
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pubmed:issnType |
Print
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pubmed:day |
23
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pubmed:volume |
50
|
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pubmed:owner |
NLM
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pubmed:authorsComplete |
Y
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pubmed:pagination |
4250-4
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pubmed:meshHeading |
pubmed-meshheading:17655212-Acetylcholinesterase,
pubmed-meshheading:17655212-Benzylamines,
pubmed-meshheading:17655212-Butyrylcholinesterase,
pubmed-meshheading:17655212-Catalytic Domain,
pubmed-meshheading:17655212-Cholinesterase Inhibitors,
pubmed-meshheading:17655212-Computer Simulation,
pubmed-meshheading:17655212-Coumarins,
pubmed-meshheading:17655212-Humans,
pubmed-meshheading:17655212-Models, Molecular,
pubmed-meshheading:17655212-Quantum Theory,
pubmed-meshheading:17655212-Structure-Activity Relationship
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|
pubmed:year |
2007
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|
pubmed:articleTitle |
Extensive SAR and computational studies of 3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimethoxy-2H-2-chromenone (AP2238) derivatives.
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pubmed:affiliation |
Department of Pharmaceutical Sciences, University of Bologna, Via Belmeloro 6, 40126 Bologna, Italy. lorna.piazzi@unibo.it
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pubmed:publicationType |
Journal Article,
Research Support, Non-U.S. Gov't
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