메뉴 건너뛰기




Volumn 21, Issue 10, 2012, Pages 2779-2787

An in silico approach for the identification of inhibitors against Acetylcholinesterase

Author keywords

Acetylcholinesterase; Donepezil; Induced fit docking; Virtual screening

Indexed keywords

ACETYLCHOLINESTERASE; CHOLINESTERASE; CHOLINESTERASE INHIBITOR; DONEPEZIL; UNCLASSIFIED DRUG; ZINC 02040474; ZINC 08750211; ZINC 11709541; ZINC 13802320; ZINC 49718337;

EID: 84866419359     PISSN: 10542523     EISSN: 15548120     Source Type: Journal    
DOI: 10.1007/s00044-011-9814-y     Document Type: Article
Times cited : (7)

References (42)
  • 1
    • 0002630825 scopus 로고
    • Neuromuscular transmission-enzymatic destruction of acetylcholine
    • Hubbard JI (ed) Plenum Press, New York
    • Barnard EA (1974) Neuromuscular transmission-enzymatic destruction of acetylcholine. In: Hubbard JI (ed) The peripheral nervous system. Plenum Press, New York, pp 201-224
    • (1974) The Peripheral Nervous System , pp. 201-224
    • Barnard, E.A.1
  • 2
    • 0019972810 scopus 로고
    • The cholinergic hypothesis of geriatric memory dysfunction
    • Bartus RT, Dean RL III, Beer B, Lippa AS (1982) The cholinergic hypothesis of geriatric memory dysfunction. Science 217: 408-414
    • (1982) Science , vol.217 , pp. 408-414
    • Bartus, R.T.1    Dean Iii, R.L.2    Beer, B.3    Lippa, A.S.4
  • 3
    • 0001107286 scopus 로고
    • The inhibitory effect of stilbamidine, curare and related compounds and its relationship to the active groups of acetylcholine esterase. Action of stilbamidine upon nerve impulse conduction
    • Bergmann F, Wilson IB, Nachmansohn D (1950) The inhibitory effect of stilbamidine, curare and related compounds and its relationship to the active groups of acetylcholine esterase. Action of stilbamidine upon nerve impulse conduction. Biochim Biophys Acta 6:217-224
    • (1950) Biochim Biophys Acta , vol.6 , pp. 217-224
    • Bergmann, F.1    Wilson, I.B.2    Nachmansohn, D.3
  • 4
    • 33750883640 scopus 로고    scopus 로고
    • Targeting beta-amyloid pathogenesis through acetylcholinesterase inhibitors
    • Castro A, Martinez A (2006) Targeting beta-amyloid pathogenesis through acetylcholinesterase inhibitors. Curr Pharm Des 12: 4377-4387
    • (2006) Curr Pharm des , vol.12 , pp. 4377-4387
    • Castro, A.1    Martinez, A.2
  • 5
    • 0013945471 scopus 로고
    • Responses of acetylcholinesterase from Torpedo marmorata to salts and curarizing drugs
    • Changeux JP (1966) Responses of acetylcholinesterase from Torpedo marmorata to salts and curarizing drugs. Mol Pharmacol 2:369-392
    • (1966) Mol Pharmacol , vol.2 , pp. 369-392
    • Changeux, J.P.1
  • 6
    • 33646778226 scopus 로고    scopus 로고
    • Molecular modeling, docking and ADMET studies applied to the design of a novel hybrid for treatment of alzheimer's disease
    • da Silva CHTP, Campo VL, Carvalho I, Taft CA (2006) Molecular modeling, docking and ADMET studies applied to the design of a novel hybrid for treatment of alzheimer's disease. J Mol Graphics Modell 25:169-175
    • (2006) J Mol Graphics Modell , vol.25 , pp. 169-175
    • Da Silva, C.H.T.P.1    Campo, V.L.2    Carvalho, I.3    Taft, C.A.4
  • 7
    • 77956895752 scopus 로고
    • Acetylcholinesterase
    • Boyer PD (ed) Academic Press, New York
    • Froede HC, Wilson IB (1971) Acetylcholinesterase, in: Boyer PD (ed) The enzymes, vol 5. Academic Press, New York, pp 87-114
    • (1971) The Enzymes , vol.5 , pp. 87-114
    • Froede, H.C.1    Wilson, I.B.2
  • 9
    • 0141818332 scopus 로고    scopus 로고
    • Cholinergic function and Alzheimer's disease
    • Giacobini E (2003) Cholinergic function and Alzheimer's disease. Int J Geriatr Psychiatr 18:S1-S5
    • (2003) Int J Geriatr Psychiatr , vol.18
    • Giacobini, E.1
  • 10
    • 0029937950 scopus 로고    scopus 로고
    • The effect of the selective reversible acetylcholinesterase inhibitor E2020 on extracellular acetylcholine and biogenic amine levels in rat cortex
    • Giacobini E, Zhu XD, Williams E, Sherman KA (1996) The effect of the selective reversible acetylcholinesterase inhibitor E2020 on extracellular acetylcholine and biogenic amine levels in rat cortex. Neuropharmacology 35:205-211
    • (1996) Neuropharmacology , vol.35 , pp. 205-211
    • Giacobini, E.1    Zhu, X.D.2    Williams, E.3    Sherman, K.A.4
  • 11
    • 33750705653 scopus 로고    scopus 로고
    • A century of Alzheimer's disease
    • Goedert M, Spillantini MG (2006) A century of Alzheimer's disease. Science 314:777-781
    • (2006) Science , vol.314 , pp. 777-781
    • Goedert, M.1    Spillantini, M.G.2
  • 12
    • 0642309501 scopus 로고    scopus 로고
    • Acetylcholinesterase: A multifaceted target for structure-based drug design of anticholinesterase agents for the treatment of Alzheimer's disease
    • Greenblatt HM, Dvir H, Silman I, Sussman JL (2003) Acetylcholinesterase: a multifaceted target for structure-based drug design of anticholinesterase agents for the treatment of Alzheimer's disease. J Mol Neurosci 20:369-384
    • (2003) J Mol Neurosci , vol.20 , pp. 369-384
    • Greenblatt, H.M.1    Dvir, H.2    Silman, I.3    Sussman, J.L.4
  • 13
    • 0033985927 scopus 로고    scopus 로고
    • Rivastigmine, a new- generation cholinesterase inhibitor for the treatment of Alzheimer's disease
    • Jann MW (2000) Rivastigmine, a new- generation cholinesterase inhibitor for the treatment of Alzheimer's disease. Pharmacotherapy 20:1-12
    • (2000) Pharmacotherapy , vol.20 , pp. 1-12
    • Jann, M.W.1
  • 14
    • 0034722048 scopus 로고    scopus 로고
    • Donepezil dosedependently inhibits acetylcholinesterase activity in various areas and in the presynaptic cholinergic and the postsynaptic cholinoceptive enzyme-positive structures in the human and rat brain
    • Kasa P, Papp H, Kasa P Jr, Torok I (2000) Donepezil dosedependently inhibits acetylcholinesterase activity in various areas and in the presynaptic cholinergic and the postsynaptic cholinoceptive enzyme-positive structures in the human and rat brain. Neuroscience 101:89-100
    • (2000) Neuroscience , vol.101 , pp. 89-100
    • Kasa, P.1    Papp, H.2    Kasa Jr., P.3    Torok, I.4
  • 15
    • 0033103478 scopus 로고    scopus 로고
    • Structure of acetylcholinesterase complexed with E2020 (Aricept): Implications for the design of new anti-Alzheimer drugs
    • Kryger G, Silman I, Sussman JL (1999) Structure of acetylcholinesterase complexed with E2020 (Aricept): implications for the design of new anti-Alzheimer drugs. Structure 7:297-307
    • (1999) Structure , vol.7 , pp. 297-307
    • Kryger, G.1    Silman, I.2    Sussman, J.L.3
  • 16
    • 0031593613 scopus 로고    scopus 로고
    • The therapeutic potential of tacrine
    • Kurz AJ (1998) The therapeutic potential of tacrine. Neural Transm Suppl 54:295-299
    • (1998) Neural Transm Suppl , vol.54 , pp. 295-299
    • Kurz, A.J.1
  • 17
    • 0033737778 scopus 로고    scopus 로고
    • PASS: Prediction of activity spectra for biologically active substances
    • Lagunin A, Stepanchikova A, Filimonov D, Poroikov V (2000) PASS: prediction of activity spectra for biologically active substances. Bioinformatics 16:747-748
    • (2000) Bioinformatics , vol.16 , pp. 747-748
    • Lagunin, A.1    Stepanchikova, A.2    Filimonov, D.3    Poroikov, V.4
  • 18
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (2001) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Del Rev 46:3-26
    • (2001) Adv Drug Del Rev , vol.46 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 19
    • 0036979473 scopus 로고    scopus 로고
    • Galantamine as bisfunctional ligand for the acetylcholinesterase
    • Luttmann E, Linnemann E, Fels G (2002) Galantamine as bisfunctional ligand for the acetylcholinesterase. J Mol Model 8: 208-216
    • (2002) J Mol Model , vol.8 , pp. 208-216
    • Luttmann, E.1    Linnemann, E.2    Fels, G.3
  • 20
    • 34547860015 scopus 로고    scopus 로고
    • PASS-predicted design, synthesis and biological evaluation of cyclic nitrones as nootropics
    • Marwaha A, Goel RK, Mahajan MP (2007) PASS-predicted design, synthesis and biological evaluation of cyclic nitrones as nootropics. Bioorg Med Chem Lett 17:5251-5255
    • (2007) Bioorg Med Chem Lett , vol.17 , pp. 5251-5255
    • Marwaha, A.1    Goel, R.K.2    Mahajan, M.P.3
  • 21
    • 4544366514 scopus 로고    scopus 로고
    • Efficient method for high throughput virtual screening based on flexible docking; Discovery of novel acetylcholinesterase inhibitors
    • Mizutani MY, Itai A (2004) Efficient method for high throughput virtual screening based on flexible docking; discovery of novel acetylcholinesterase inhibitors. J Med Chem 47:4818-4828
    • (2004) J Med Chem , vol.47 , pp. 4818-4828
    • Mizutani, M.Y.1    Itai, A.2
  • 22
    • 0016152998 scopus 로고
    • Ligand binding properties of acetylcholinesterase determined with fluorescent probes
    • Mooser G, Sigman DS (1974) Ligand binding properties of acetylcholinesterase determined with fluorescent probes. Biochemistry 13:2299-2307
    • (1974) Biochemistry , vol.13 , pp. 2299-2307
    • Mooser, G.1    Sigman, D.S.2
  • 23
    • 84958258163 scopus 로고
    • The enzymic hydrolysis and synthesis of acetylcholine
    • Nachmansohn D, Wilson IB (1951) The enzymic hydrolysis and synthesis of acetylcholine. Adv Enzymol 12:259-339
    • (1951) Adv Enzymol , vol.12 , pp. 259-339
    • Nachmansohn, D.1    Wilson, I.B.2
  • 24
    • 0031014153 scopus 로고    scopus 로고
    • Donepezil approved for treatment of Alzheimer's disease
    • Nightingale SL (1997) Donepezil approved for treatment of Alzheimer's disease. JAMA 277:10
    • (1997) JAMA , vol.277 , pp. 10
    • Nightingale, S.L.1
  • 25
    • 25844495011 scopus 로고    scopus 로고
    • Medicinal chemical properties of successful central nervous system drugs
    • Pajouhesh H, Lenz GR (2005) Medicinal chemical properties of successful central nervous system drugs. NeuroRx 2:541-553
    • (2005) NeuroRx , vol.2 , pp. 541-553
    • Pajouhesh, H.1    Lenz, G.R.2
  • 26
    • 0017360731 scopus 로고
    • Necropsy evidence of central cholinergic details in senile dementia
    • Perry EK, Perry RH, Blessed G, Tomlinson BE (1977) Necropsy evidence of central cholinergic details in senile dementia. The Lancet i:189
    • (1977) The Lancet , vol.1 , pp. 189
    • Perry, E.K.1    Perry, R.H.2    Blessed, G.3    Tomlinson, B.E.4
  • 27
    • 0018078940 scopus 로고
    • Correlation of cholinergic abnormalities with senile plaques and mental test scores in senile dementia
    • Perry EK, Tomlinson BE, Blessed G, Bergmann K, Gibson PH, Perry RH (1978) Correlation of cholinergic abnormalities with senile plaques and mental test scores in senile dementia. Br Med J 2:1457-1459
    • (1978) Br Med J , vol.2 , pp. 1457-1459
    • Perry, E.K.1    Tomlinson, B.E.2    Blessed, G.3    Bergmann, K.4    Gibson, P.H.5    Perry, R.H.6
  • 28
    • 0027517144 scopus 로고
    • Three distinct domains in the cholinesterase molecule confer selectivity for acetyl- and butyrylcholinesterase inhibitors
    • Radić Z, Pickering NA, Vellom DC, Camp S, Taylor P (1993) Three distinct domains in the cholinesterase molecule confer selectivity for acetyl- and butyrylcholinesterase inhibitors. Biochemistry 32:12074-12084
    • (1993) Biochemistry , vol.32 , pp. 12074-12084
    • Radić, Z.1    Pickering, N.A.2    Vellom, D.C.3    Camp, S.4    Taylor, P.5
  • 29
    • 4544236922 scopus 로고    scopus 로고
    • Acetylcholinesterase inhibitors as a starting point towards improved Alzheimer's disease therapeutics
    • Recanatini M, Valenti P (2004) Acetylcholinesterase inhibitors as a starting point towards improved Alzheimer's disease therapeutics. Curr Pharm Des 10:3157-3166
    • (2004) Curr Pharm des , vol.10 , pp. 3157-3166
    • Recanatini, M.1    Valenti, P.2
  • 31
    • 2442647903 scopus 로고    scopus 로고
    • Acetylcholinesterase-Abeta complexes are more toxic than Abeta fibrils in rat hippocampus: Effect on rat beta-amyloid aggregation, laminin expression, reactive astrocytosis, and neuronal cell loss
    • Reyes AE, Chacon MA, Dinamarca MC, Cerpa W, Morgan C, Inestrosa NC (2004) Acetylcholinesterase-Abeta complexes are more toxic than Abeta fibrils in rat hippocampus: effect on rat beta-amyloid aggregation, laminin expression, reactive astrocytosis, and neuronal cell loss. Am J Pathol 164:2163-2174
    • (2004) Am J Pathol , vol.164 , pp. 2163-2174
    • Reyes, A.E.1    Chacon, M.A.2    Dinamarca, M.C.3    Cerpa, W.4    Morgan, C.5    Inestrosa, N.C.6
  • 32
    • 33750731675 scopus 로고    scopus 로고
    • 100 years and counting: Prospects for defeating Alzheimer's disease
    • Roberson ED, Mucke L (2006) 100 years and counting: prospects for defeating Alzheimer's disease. Science 314:781-784
    • (2006) Science , vol.314 , pp. 781-784
    • Roberson, E.D.1    Mucke, L.2
  • 33
    • 33747423612 scopus 로고    scopus 로고
    • Memantine: A review of its use in Alzheimer's disease
    • Robinson DM, Keating GM (2006) Memantine: a review of its use in Alzheimer's disease. Drugs 66:1515-1534
    • (2006) Drugs , vol.66 , pp. 1515-1534
    • Robinson, D.M.1    Keating, G.M.2
  • 34
    • 0016593463 scopus 로고
    • Acetylcholinesterase
    • Rosenberry TL (1975) Acetylcholinesterase. Adv Enzymol 43: 103-218
    • (1975) Adv Enzymol , vol.43 , pp. 103-218
    • Rosenberry, T.L.1
  • 35
    • 0035066332 scopus 로고    scopus 로고
    • Alzheimer's disease: Genes, proteins and therapy
    • Selkoe DJ (2001) Alzheimer's disease: genes, proteins and therapy. Phys Rev 81:741-766
    • (2001) Phys Rev , vol.81 , pp. 741-766
    • Selkoe, D.J.1
  • 36
    • 27844445619 scopus 로고    scopus 로고
    • Acetylcholinesterase inhibitors for the treatment of dementia in Alzheimer's disease: Do we need new inhibitors
    • Small DH (2005) Acetylcholinesterase inhibitors for the treatment of dementia in Alzheimer's disease: do we need new inhibitors. Expert Opin Emerg Drugs 10:817-825
    • (2005) Expert Opin Emerg Drugs , vol.10 , pp. 817-825
    • Small, D.H.1
  • 38
    • 0035750926 scopus 로고    scopus 로고
    • Donepezil hydrochloride: A treatment drug for Alzheimer's disease
    • Sugimoto H (2001) Donepezil hydrochloride: a treatment drug for Alzheimer's disease. Chem Rec 1:63-73
    • (2001) Chem Rec , vol.1 , pp. 63-73
    • Sugimoto, H.1
  • 39
    • 0042433479 scopus 로고    scopus 로고
    • The cholinergic hypothesis of age and Alzheimer's disease-related cognitive deficits: Recent challenges and their implications for novel drug development
    • Terry AV Jr, Buccafusco JJ (2003) The cholinergic hypothesis of age and Alzheimer's disease-related cognitive deficits: recent challenges and their implications for novel drug development. J Pharmacol Exp Ther 306:821-827
    • (2003) J Pharmacol Exp Ther , vol.306 , pp. 821-827
    • Terry Jr., A.V.1    Buccafusco, J.J.2
  • 40
    • 0027459560 scopus 로고
    • Amino acid residues controlling acetylcholinesterase and butyrylcholinesterase specificity
    • Vellom DC, Radić Z, Li Y, Pickering NA, Camp S, Taylor P (1993) Amino acid residues controlling acetylcholinesterase and butyrylcholinesterase specificity. Biochemistry 32:12-17
    • (1993) Biochemistry , vol.32 , pp. 12-17
    • Vellom, D.C.1    Radić, Z.2    Li, Y.3    Pickering, N.A.4    Camp, S.5    Taylor, P.6
  • 41
    • 77953595300 scopus 로고    scopus 로고
    • Benchmarking docking and scoring protocol for the identification of potential acetylcholinesterase inhibitors
    • Zaheer-ul-hag, Halima SA, Uddina R, Madura JD (2010) Benchmarking docking and scoring protocol for the identification of potential acetylcholinesterase inhibitors. J Mol Graph Model 28:870-882
    • (2010) J Mol Graph Model , vol.28 , pp. 870-882
    • Zaheer-Ul-Hag Halima, S.A.1    Uddina, R.2    Madura, J.D.3
  • 42
    • 0037639803 scopus 로고    scopus 로고
    • Galantamine hydrobromide: An agent for Alzheimer's disease
    • Zarotsky V, Sramek JJ, Cutler NR (2003) Galantamine hydrobromide: an agent for Alzheimer's disease. Am J Health Syst Pharm 60:446-452
    • (2003) Am J Health Syst Pharm , vol.60 , pp. 446-452
    • Zarotsky, V.1    Sramek, J.J.2    Cutler, N.R.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.