Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysis

Journal of Medicinal Chemistry

Volumn 47, Issue 18, 2004, Pages 4471-4482

  Martín Santamaría, Sonsoles ^a   Muñoz Muriedas, Jordi ^a,b   Luque, F Javier ^b   Gago, Federico ^c  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF ALCALÁ   (Spain)

^c NONE

Author keywords

[No Author keywords available]

Indexed keywords

CHOLINESTERASE INHIBITOR; DIHYDROQUINOLINE DERIVATIVE; HUPRINE DERIVATIVE; TACRINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; BINDING ASSAY; DRUG ACTIVITY; DRUG BINDING; DRUG PROTEIN BINDING; ELECTRICITY; ENZYME ACTIVE SITE; ENZYME INHIBITION; METHODOLOGY; MODEL; REGRESSION ANALYSIS; VALIDATION PROCESS;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; CHOLINESTERASE INHIBITORS; INHIBITORY CONCENTRATION 50; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 4143123202     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm049877p     Document Type: Article

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