Identification of potential bivalent inhibitors from natural compounds for acetylcholinesterase through in silico screening using multiple pharmacophores

Journal of Molecular Graphics and Modelling

Volumn 40, Issue , 2013, Pages 72-79

  Lakshmi, V ^a   Kannan, V Santhosh ^a   Boopathy, R ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

Acetylcholinesterase; Bivalent inhibitors; Catalytic site; Peripheral anionic site; Pharmacophore based screening; Virtual screening

Indexed keywords

ACETYLCHOLINESTERASE; CATALYTIC SITES; PERIPHERAL ANIONIC SITE; PHARMACOPHORES; VIRTUAL SCREENING;

BIOACTIVITY; MOLECULES;

PHARMACODYNAMICS;

ACETYLCHOLINESTERASE; CHOLINESTERASE INHIBITOR; TRYPTOPHAN;

ALZHEIMER DISEASE; ARTICLE; CATALYSIS; COMPUTER MODEL; CRYSTAL STRUCTURE; DRUG SCREENING; MOLECULAR DOCKING; PHARMACOPHORE; PRIORITY JOURNAL;

ACETYLCHOLINESTERASE; CHOLINESTERASE INHIBITORS; DRUG DESIGN; HUMANS; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; REPRODUCIBILITY OF RESULTS;

EID: 84872684616     PISSN: 10933263     EISSN: 18734243     Source Type: Journal    
DOI: 10.1016/j.jmgm.2012.12.008     Document Type: Article

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