New molecular scaffolds for the design of Alzheimer's acetylcholinesterase inhibitors identified using ligand- and receptor-based virtual screening

Medicinal Chemistry Research

Volumn 22, Issue 5, 2013, Pages 2328-2345

  Chitranshi, Nitin ^a   Gupta, Shipra ^b   Tripathi, Pushpendra Kumar ^a   Seth, Prahlad Kishore ^b  

^a DR A P J ABDUL KALAM TECHNICAL UNIVERSITY   (India)

^b Bioinformatics Centre   (India)

Author keywords

2D Descriptors; 3D Pharmacophore; Acetylcholinesterase (AChE); Binding site; Molecular docking; QSAR

Indexed keywords

AW 0084; AW 00841; BTB 15236; CHOLINESTERASE INHIBITOR; GK 02443; GK 02444; GK 02445; HTS 01811; HTS 02407; HTS 03170; HTS 06574; HTS 09726; INDANONE DERIVATIVE; KM 0887; KM 08871; LIGAND; MOLECULAR SCAFFOLD; S 03906; S 15017; SEW 05768; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; CHEMICAL MODIFICATION; CHEMICAL STRUCTURE; CHOLINESTERASE INHIBITION; DIPOLE; DRUG BINDING SITE; IC 50; MOLECULAR DOCKING; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RETROSPECTIVE STUDY; SCREENING;

EID: 84879689838     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-012-0227-3     Document Type: Article

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