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Short Communication

A computational insight into acetylcholinesterase inhibitory activity of a new lichen depsidone

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Pages 528-532 | Received 08 Jul 2014, Accepted 24 Jul 2014, Published online: 08 Sep 2014

References

  • Graham LP. An introduction to medicinal chemistry. Oxford: University Press; 2005
  • Scott LJ, Goa KL. Galantamine: a review of its use in Alzheimer’s disease. Drugs 2000;60:1095–122
  • Pejin B, Tommonaro G, Iodice C, et al. A new depsidone of Lobaria pulmonaria with acetylcholinesterase inhibition activity. J Enzyme Inhib Med Chem 2013;28:876–8
  • Pejin B, Tommonaro G, Iodice C, et al. A new lichen depsidone from Lobaria pulmonaria. Dig J Nanomater Bios 2012;7:1663–6
  • Pejin B, Iodice C, Stanimirovic B, et al. A novel β-orcinol depsidone of the lichen Lobaria pulmonaria. Asian J Chem. [Epub ahead of print]
  • Marston A, Kissling J, Hostettmann K. A rapid TLC bioautographic method for the detection of acetylcholinesterase and butyrylcholinesterase inhibitors in plants. Phytochem Anal 2002;13:51–4
  • Rhee IK, van de Meent M, Ingkaninan K, Verpoorte R. Screening for acetylcholinesterase inhibitors from amaryllidaceae using silica gel thin-layer chromatography in combination with bioactivity staining. J Chromatogr A 2001;915:217–23
  • Zhao Y, Truhlar DG. A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions. J Chem Phys 2006;125:1–17
  • Zhao Y, Truhlar DG. The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals. Theor Chem Acc 2008;120:215–41
  • Jacquemin D, Perpète EA, Ciofini I, et al. On the performances of the M06 family of density functionals for electronic excitation energies. J Chem Theory Comput 2010;6:2071–85
  • Sakkiah S, Thangapandian S, John S, et al. 3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors. Eur J Med Chem 2010;45:2132–40
  • Ece A, Sevin F. The discovery of potential cyclin A/CDK2 inhibitors: a combination of 3D QSAR pharmacophore modeling, virtual screening, and molecular docking studies. Med Chem Res 2013;22:5832–43
  • Ece A, Sevin F. Exploring QSAR on 4-cyclohexylmethoxypyrimidines as antitumor agents for their inhibitory activity of cdk2. Lett Drug Des Discov 2010;7:625–31
  • Frisch MJ, Trucks GW, Schlegel HB, et al. Gaussian 09, Revision C.01. Wallingford (CT): Gaussian, Inc.; 2009
  • Accelrys Software Inc. Accelrys Draw, Release 4.1. San Diego: Accelrys Software Inc.; 2013
  • Trott O, Olson AJ. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading. J Comput Chem 2010;31:455–61
  • Morris GM, Huey R, Lindstrom W, et al. Autodock4 and AutoDockTools4: automated docking with selective receptor flexiblity. J Comput Chem 2009;16:2785–91
  • Accelrys Software Inc. Discovery Studio Visualizer, Release 4.0. San Diego: Accelrys Software Inc.; 2013
  • Sugimoto H, Sugimoto H, Yamanishi Y, et al. Donepezil hydrochloride (E2020) and other acetylcholinesterase inhibitors. Curr Med Chem 2000;7:303–39
  • Nascimento ÉCM, Martins JBL, dos Santos ML, Gargano R. Theoretical study of classical acetylcholinesterase inhibitors. Chem Phys Lett 2008;458:285–9
  • Nascimento ÉCM, Martins JBL. Electronic structure and PCA analysis of covalent and non-covalent acetylcholinesterase inhibitors. J Mol Model 2011;17:1371–9
  • Veber DF, Johnson SR, Cheng H-Y, et al. Molecular properties that influence the oral bioavailability of drug candidates. J Med Chem 2002;45:2615–23
  • Campiani G, Kozikowski AP, Wang S, et al. Synthesis and anticholinesterase activity of huperzine A analogues containing phenol and catechol replacements for the pyridone ring. Bioorg Med Chem Lett 1998;8:1413–18
  • Contreras JM, Parrot I, Sippl W, et al. Design, synthesis, and structure-activity relationships of a series of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridazine derivatives as acetylcholinesterase inhibitors. J Med Chem 2001;44:2707–18
  • Sippl W, Contreras JM, Parrot I, et al. Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors. J Comput Aided Mol Des 2001;15:395–410
  • Carlier PR, Du D-M, Han Y-F, et al. Dimerization of an inactive fragment of huperzine A produces a drug with twice the potency of the natural product. Angew Chem Int Ed 2000;39:1775–7

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