RSC Advances · 2018 · 64 citations · 55 references
PharmacyMedicinal ChemistryPharmacologyDrug DiscoveryPharmacophore ModelingStructural BiologyLigand BindingMolecular DockingPharmacophore-based Lead DiscoveryProtein-ligand DockingStructure-activity Relationship AnalysisStructure-based Pharmacophore Modeling3D Molecular ModelingAche InhibitionCompetitive InhibitionPharmacophore Hypothesis ConstructionPharmacophore Hypothesis DevelopmentPharmacophore Hypothesis RefinementStructure-activity Relationship ModelingStructure-based Lead Discovery
values (0.21 ± 0.027 μM, 0.27 ± 0.064 μM, 0.3 ± 0.018 μM, and 0.28 ± 0.032 μM for ZINC20592007, ZINC05354646, ZINC20649934, and ZINC39154782 respectively), and increased the cholinergic activity as well as inhibited Aβ aggregation.
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A new and rapid colorimetric determination of acetylcholinesterase activity
George L. Ellman, K. Diane Courtney, Valentino Andres et al. · Biochemical Pharmacology · 1961 · 26.9K citations
A smooth particle mesh Ewald method
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