Structure-based 3D QSAR and design of novel acetylcholinesterase

Journal of Computer-Aided Molecular Design

Volumn 15, Issue 5, 2001, Pages 395-410

  Sippl, Wolfgang ^a   Contreras, Jean Marie ^b   Parrot, Isabelle ^b   Rival, Yveline M ^b   Wermuth, Camille G ^b  

^a HEINRICH HEINE UNIVERSITY   (Germany)

^b Laboratoire de Pharmacochimie   (France)

Author keywords

3D QSAR; Acetylcholinesterase inhibitors; CoMFA; Docking; GOLPE; GRID; Structure based design

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; THREE DIMENSIONAL COMPUTER GRAPHICS;

3D-QSAR; ACETYLCHOLINESTERASE; ACETYLCHOLINESTERASE INHIBITORS; AMINOPYRIDAZINES; COMFA; DOCKING; GOLPE; GRID; STRUCTURE-BASED DESIGNS; X-RAY STRUCTURE;

CRYSTAL STRUCTURE;

3 AMINOPYRIDAZINE DERIVATIVE; CHOLINESTERASE INHIBITOR; DECAMETHONIUM; DONEPEZIL; EDROPHONIUM; MINAPRINE; TACRINE;

ARTICLE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DRUG ACTIVITY; DRUG BINDING; DRUG CONFORMATION; DRUG DESIGN; DRUG SYNTHESIS; ENZYME BINDING; METHODOLOGY; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION PROCESS; X RAY;

EID: 0034998831     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1011150215288     Document Type: Article

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