메뉴 건너뛰기




Volumn 11, Issue 2, 2012, Pages 142-147

Molecular interaction of the antineoplastic drug, methotrexate with human brain acetylcholinesterase: A docking study

Author keywords

Docking; Enzyme inhibition; Human brain acetylcholinesterase; Methotrexate

Indexed keywords

ACETYLCHOLINESTERASE; CYCLOPHOSPHAMIDE; METHOTREXATE;

EID: 84860471051     PISSN: 18715273     EISSN: 19963181     Source Type: Journal    
DOI: 10.2174/187152712800269669     Document Type: Article
Times cited : (22)

References (34)
  • 1
    • 0030013456 scopus 로고    scopus 로고
    • Investigation of the effect of anti-neoplastic drugs, cyclophosphamide, cisplatin and methotrexate on the turnover kinetics of human erythrocyte acetylcholinesterase
    • Kamal, M.A.; Nasim, F.H.; Al-Jafari, A.A. Investigation of the effect of anti-neoplastic drugs, cyclophosphamide, cisplatin and methotrexate on the turnover kinetics of human erythrocyte acetylcholinesterase. Biochem. Mol. Biol. Int., 1996a, 39(2), 293-302.
    • (1996) Biochem. Mol. Biol. Int , vol.39 , Issue.2 , pp. 293-302
    • Kamal, M.A.1    Nasim, F.H.2    Al-Jafari, A.A.3
  • 2
    • 85027926210 scopus 로고    scopus 로고
    • RESPOND investigators. Infliximab plus methotrexate is superior to methotrexate alone in the treatment of psoriatic arthritis inmethotrexate-naive patients: The RESPOND study
    • Baranauskaite, A.; Raffayová, H.; Kungurov, N.; Kubanova, A.; Venalis, A.; Helmle, L.; Srinivasan, S.; Nasonov, E.; Vastesaeger, N.; RESPOND investigators. Infliximab plus methotrexate is superior to methotrexate alone in the treatment of psoriatic arthritis inmethotrexate-naive patients: the RESPOND study. Ann. Rheum. Dis., 2011, 71(4), 541-548.
    • (2011) Ann. Rheum. Dis , vol.71 , Issue.4 , pp. 541-548
    • Baranauskaite, A.1    Raffayová, H.2    Kungurov, N.3    Kubanova, A.4    Venalis, A.5    Helmle, L.6    Srinivasan, S.7    Nasonov, E.8    Vastesaeger, N.9
  • 3
    • 84860453625 scopus 로고    scopus 로고
    • A Phase 2B dose-ranging study of the oral JAK inhibitor tofacitinib (CP- 690,550) versus placebo in combination with background methotrexate in patients with active rheumatoid0020arthritis andinadequateresponseto methotrexate alone
    • [Epub ahead of print]
    • Kremer, J.M.; Cohen, S.; Wilkinson, B.E.; Connell, C.A.; French, J.L.; Gomez-Reino, J.; Gruben, D.; Kanik, K.S.; Krishnaswami, S.; Pascual-Ramos, V.; Wallenstein, G.; Zwillich, S.H. A Phase 2B dose-ranging study of the oral JAK inhibitor tofacitinib (CP- 690,550) versus placebo in combination with background methotrexate in patients with active rheumatoid0020arthritis andinadequateresponseto methotrexate alone. Arthritis Rheum., 2011, [Epub ahead of print].
    • (2011) Arthritis Rheum
    • Kremer, J.M.1    Cohen, S.2    Wilkinson, B.E.3    Connell, C.A.4    French, J.L.5    Gomez-Reino, J.6    Gruben, D.7    Kanik, K.S.8    Krishnaswami, S.9    Pascual-Ramos, V.10    Wallenstein, G.11    Zwillich, S.H.12
  • 4
    • 0036830787 scopus 로고    scopus 로고
    • Methotrexate-related neurotoxicity in the treatment of childhood acute lymphoblastic leukemia
    • Shuper, A.; Stark, B.; Kornreich, L.; Cohen, I.J.; Avrahami, G.; Yaniv, I. Methotrexate-related neurotoxicity in the treatment of childhood acute lymphoblastic leukemia. Isr. Med. Assoc. J., 2002, 4(11), 1050-1053.
    • (2002) Isr. Med. Assoc. J , vol.4 , Issue.11 , pp. 1050-1053
    • Shuper, A.1    Stark, B.2    Kornreich, L.3    Cohen, I.J.4    Avrahami, G.5    Yaniv, I.6
  • 5
    • 79960094058 scopus 로고    scopus 로고
    • Methotrexate-induced posterior reversible encephalopathy syndrome
    • Aradillas, E.; Arora, R.; Gasperino, J. Methotrexate-induced posterior reversible encephalopathy syndrome. J. Clin. Pharm. Ther., 2011, 36(4), 529-536.
    • (2011) J. Clin. Pharm. Ther , vol.36 , Issue.4 , pp. 529-536
    • Aradillas, E.1    Arora, R.2    Gasperino, J.3
  • 7
    • 50649087289 scopus 로고    scopus 로고
    • Acetylcholinesterase: How is structure related to function
    • Silman, I.; Sussman, J.L. Acetylcholinesterase: how is structure related to function? Chem. Biol. Interact., 2008, 175(1-3), 3-10.
    • (2008) Chem. Biol. Interact , vol.175 , Issue.1-3 , pp. 3-10
    • Silman, I.1    Sussman, J.L.2
  • 8
    • 0037318283 scopus 로고    scopus 로고
    • Neurobiology of butyrylcholinesterase
    • Darvesh, S.; Hopkins, D.A.; Geula, C. Neurobiology of butyrylcholinesterase. Nat. Rev. Neurosci., 2003a, 4(2), 131-138.
    • (2003) Nat. Rev. Neurosci , vol.4 , Issue.2 , pp. 131-138
    • darvesh, S.1    Hopkins, D.A.2    Geula, C.3
  • 9
    • 18744414554 scopus 로고    scopus 로고
    • Acetylcholinesterase: 'classical' and 'non-classical' functions and pharmacology
    • Silman, I.; Sussman, J.L. Acetylcholinesterase: 'classical' and 'non-classical' functions and pharmacology. Curr. Opin. Pharmacol., 2005, 5(3), 293-302.
    • (2005) Curr. Opin. Pharmacol , vol.5 , Issue.3 , pp. 293-302
    • Silman, I.1    Sussman, J.L.2
  • 11
    • 79960227672 scopus 로고    scopus 로고
    • Alternative drug therapies for dementia
    • Howland, R.H. Alternative drug therapies for dementia. J. Psychosoc. Nurs. Ment. Health Serv., 2011, 49(5), 17-20.
    • (2011) J. Psychosoc. Nurs. Ment. Health Serv , vol.49 , Issue.5 , pp. 17-20
    • Howland, R.H.1
  • 12
    • 0029863909 scopus 로고    scopus 로고
    • Deletion of the acetylcholinesterase locus at 7q22 associated with myelodysplastic syndromes (MDS) and acute myeloid leukaemia (AML)
    • Stephenson, J.; Czepulkowski, B.; Hirst, W.; Mufti, G.J. Deletion of the acetylcholinesterase locus at 7q22 associated with myelodysplastic syndromes (MDS) and acute myeloid leukaemia (AML). Leuk. Res., 1996, 20, 235-241.
    • (1996) Leuk. Res , vol.20 , pp. 235-241
    • Stephenson, J.1    Czepulkowski, B.2    Hirst, W.3    Mufti, G.J.4
  • 13
    • 77649234636 scopus 로고    scopus 로고
    • Effects of cholinesterase inhibitors on the activities and protein levels of cholinesterases in the cerebrospinal fluid of patients with Alzheimer's disease: A review of recent clinical studies
    • Darreh-Shori, T.; Soininen, H. Effects of cholinesterase inhibitors on the activities and protein levels of cholinesterases in the cerebrospinal fluid of patients with Alzheimer's disease: a review of recent clinical studies. Curr. Alzheimer Res., 2010, 7(1), 67-73.
    • (2010) Curr. Alzheimer Res , vol.7 , Issue.1 , pp. 67-73
    • Darreh-Shori, T.1    Soininen, H.2
  • 15
    • 79953653234 scopus 로고    scopus 로고
    • The use of cholinesterases in ecotoxicology
    • Nunes, B. The use of cholinesterases in ecotoxicology. Rev. Environ. Contam. Toxicol., 2011, 212, 29-59.
    • (2011) Rev. Environ. Contam. Toxicol , vol.212 , pp. 29-59
    • Nunes, B.1
  • 16
    • 0029941548 scopus 로고    scopus 로고
    • In vitro inhibition of human erythrocyte acetylcholinesterase(EC3.1.1.7) by an antineoplastic drug methotrexate
    • Kamal, M.A.; Nasim, F.H.; Al-Jafri, A.A. In vitro inhibition of human erythrocyte acetylcholinesterase(EC3.1.1.7) by an antineoplastic drug methotrexate. Mol. Cell Biochem., 1996b, 159(1), 47-53.
    • (1996) Mol. Cell Biochem , vol.159 , Issue.1 , pp. 47-53
    • Kamal, M.A.1    Nasim, F.H.2    Al-Jafri, A.A.3
  • 17
    • 0029969788 scopus 로고    scopus 로고
    • Kinetics for camel (Camelus dromedarius) retina acetylcholinesterase inhibition by methotrexate in vitro
    • Al-Jafari, A.; Al-Khwyter, F.; Kamal, M.A.; Alhomida, A.S. Kinetics for camel (Camelus dromedarius) retina acetylcholinesterase inhibition by methotrexate in vitro. Jpn. J. Pharmacol., 1996, 72(1), 49-55.
    • (1996) Jpn. J. Pharmacol , vol.72 , Issue.1 , pp. 49-55
    • Al-Jafari, A.1    Al-Khwyter, F.2    Kamal, M.A.3    Alhomida, A.S.4
  • 18
    • 1842589290 scopus 로고    scopus 로고
    • Influence of C6 and CNS1 brain tumors on methotrexate pharmacokinetics in plasma and brain tissue
    • Dukic, S.F.; Kaltenbach, M.L.; Heurtaux, T; Hoizey, G.; Lallemand, A.; Vistelle, R. Influence of C6 and CNS1 brain tumors on methotrexate pharmacokinetics in plasma and brain tissue. J. Neurooncol., 2004, 67(1-2), 131-138.
    • (2004) J. Neurooncol , vol.67 , Issue.1-2 , pp. 131-138
    • dukic, S.F.1    Kaltenbach, M.L.2    Heurtaux, T.3    Hoizey, G.4    Lallemand, A.5    Vistelle, R.6
  • 19
    • 0024439392 scopus 로고
    • Interaction of anticancer drugs with hepatic monooxygenase
    • Leblanc, G.A.; Waxman, D.J. Interaction of anticancer drugs with hepatic monooxygenase. Drug Meta Rev., 1989, 20(2-4), 395-439.
    • (1989) Drug Meta Rev , vol.20 , Issue.2-4 , pp. 395-439
    • Leblanc, G.A.1    Waxman, D.J.2
  • 20
    • 0026606698 scopus 로고
    • Effect of cisplatin on the activities of enzymes which protect against lipid peroxidation
    • Sadzuka, Y., Shoji, T.; Takino, Y. Effect of cisplatin on the activities of enzymes which protect against lipid peroxidation. Biochem. Pharmacol., 1992, 43, 1872-1875.
    • (1992) Biochem. Pharmacol , vol.43 , pp. 1872-1875
    • Sadzuka, Y.1    Shoji, T.2    Takino, Y.3
  • 21
    • 84860455809 scopus 로고    scopus 로고
    • Interaction of CTX-M-15 enzyme with cefotaxime: A molecular modelling and docking study
    • Shakil, S.; Khan, A.U. Interaction of CTX-M-15 enzyme with cefotaxime: a molecular modelling and docking study. Bioinformation, 2010, 4(10), 468-472.
    • (2010) Bioinformation , vol.4 , Issue.10 , pp. 468-472
    • Shakil, S.1    Khan, A.U.2
  • 22
    • 77951727152 scopus 로고    scopus 로고
    • Interaction of 2009 CTX-M variants with drugs and inhibitors: A molecular modelling and docking study
    • Shakil, S.; Khan, A.U. Interaction of 2009 CTX-M variants with drugs and inhibitors: a molecular modelling and docking study. J. Proteomics Bioinformatics., 2010, 3, 130-134.
    • (2010) J. Proteomics Bioinformatics , vol.3 , pp. 130-134
    • Shakil, S.1    Khan, A.U.2
  • 23
    • 79959391606 scopus 로고    scopus 로고
    • Crystallization and preliminary X-ray crystallographic analysis of CTX-M-15, an extended-spectrum -lactamase conferring worldwide emerging antibiotic resistance
    • An, Y.J.; Lee, J.H.; Jung, H.I.; Sohn, S.G.; Lee, J.J.; Park, K.S.; Wu, X.; Jeong, B.C.; Kang, C.M.; Cha, S.S.; Lee, S.H. Crystallization and preliminary X-ray crystallographic analysis of CTX-M-15, an extended-spectrum -lactamase conferring worldwide emerging antibiotic resistance. Protein Pept. Lett., 2011, 18(9), 858-862.
    • (2011) Protein Pept. Lett , vol.18 , Issue.9 , pp. 858-862
    • An, Y.J.1    Lee, J.H.2    Jung, H.I.3    Sohn, S.G.4    Lee, J.J.5    Park, K.S.6    Wu, X.7    Jeong, B.C.8    Kang, C.M.9    Cha, S.S.10    Lee, S.H.11
  • 24
    • 81155153976 scopus 로고    scopus 로고
    • Interaction of Human Brain Acetylcholinesterase With Cyclophosphamide: A Molecular Modeling And Docking Study
    • in press
    • Shakil, S.; Khan, R., Tabrez, S.; Alam, Q.; Jabir, N.R.; Sulaiman, M.I.; Greig, N.H.; Kamal, M.A. Interaction of Human Brain Acetylcholinesterase With Cyclophosphamide: A Molecular Modeling And Docking Study. CNS Neurol. Disord. Drug Targets, 2011, 11(01), in press.
    • (2011) CNS Neurol. Disord. Drug Targets , vol.11 , Issue.1
    • Shakil, S.1    Khan, R.2    Tabrez, S.3    Alam, Q.4    Jabir, N.R.5    Sulaiman, M.I.6    Greig, N.H.7
  • 25
    • 0038308812 scopus 로고    scopus 로고
    • Inhibition of human cholinesterases by drugs used to treat Alzheimer disease
    • Darvesh, S.; Walsh, R.; Kumar, R.; Caines, A.; Roberts, S.; Magee, D.; Rockwood, K.; Martin, E. Inhibition of human cholinesterases by drugs used to treat Alzheimer disease. Alzheimer Dis. Assoc. Disord., 2003b, 17(2), 117-126.
    • (2003) Alzheimer Dis. Assoc. Disord , vol.17 , Issue.2 , pp. 117-126
    • Darvesh, S.1    Walsh, R.2    Kumar, R.3
  • 26
    • 0032499879 scopus 로고    scopus 로고
    • Kinetics of human erythrocyte acetylcholinesterase inhibition by a novel derivative of physostigmine phenserine
    • Al-Jafari, A.A.; Kamal, M.A.; Greig, N.H.; Alhomida, A.S.; Perry, E.R. Kinetics of human erythrocyte acetylcholinesterase inhibition by a novel derivative of physostigmine phenserine. Biochem. Biophys. Res. Commun., 1998, 248(1), 180-185.
    • (1998) Biochem. Biophys. Res. Commun , vol.248 , Issue.1 , pp. 180-185
    • Al-Jafari, A.A.1    Kamal, M.A.2    Greig, N.H.3    Alhomida, A.S.4    Perry, E.R.5
  • 27
    • 64549160661 scopus 로고    scopus 로고
    • Cholinesterase inhibitors and beyond
    • Pepeu, G.; Giovannini, M.G. Cholinesterase inhibitors and beyond. Curr. Alzheimer Res., 2009, 6(2), 86-96.
    • (2009) Curr. Alzheimer Res , vol.6 , Issue.2 , pp. 86-96
    • Pepeu, G.1    Giovannini, M.G.2
  • 28
    • 51649083818 scopus 로고    scopus 로고
    • Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics
    • Xu, Y.; Colletier, J.P.; Weik, M.; Jiang, H.; Moult, J.; Silman, I.; Sussman, J.L. Flexibility of aromatic residues in the active-site gorge of acetylcholinesterase: X-ray versus molecular dynamics. Biophys. J., 2008, 95(5), 2500-2511.
    • (2008) Biophys. J , vol.95 , Issue.5 , pp. 2500-2511
    • Xu, Y.1    Colletier, J.P.2    Weik, M.3    Jiang, H.4    Moult, J.5    Silman, I.6    Sussman, J.L.7
  • 29
    • 0028710014 scopus 로고
    • Prediction of the binding site of 1-benzyl-4-[(5,6-di- methoxy-l-indanon-2-yl)methyl]piperidine in acetyl- cholinesterase by docking studies with the SYSDOC program
    • Pang, Y.P.; Kozikowski, A.P. Prediction of the binding site of 1-benzyl-4-[(5,6-di- methoxy-l-indanon-2-yl)methyl]piperidine in acetyl- cholinesterase by docking studies with the SYSDOC program. J. Comput. Aided Mol. Des., 1994, 8, 683-693.
    • (1994) J. Comput. Aided Mol. Des , vol.8 , pp. 683-693
    • Pang, Y.P.1    Kozikowski, A.P.2
  • 30
    • 84857780335 scopus 로고    scopus 로고
    • Human platelet acetylcholinesterase inhibition by cyclophosphamide: A combined experimental and computational approach
    • Al-Jafri, A.A.; Shakil, S.; Reale, M.; Kamal, M.A. Human platelet acetylcholinesterase inhibition by cyclophosphamide: a combined experimental and computational approach. CNS Neurol. Disord. Drug Targets, 2011, 10(8), 928-935.
    • (2011) CNS Neurol. Disord. Drug Targets , vol.10 , Issue.8 , pp. 928-935
    • Al-Jafri, A.A.1    Shakil, S.2    Reale, M.3    Kamal, M.A.4
  • 31
    • 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, H.M.; Dvir, H.; Silman, I.; Sussman, J.L. Acetylcholinesterase: a multifaceted target for structure-based drug design of anticholinesterase agents for the treatment of Alzheimer's disease. J. Mol. Neurosci., 2003, 20(3), 369-383.
    • (2003) J. Mol. Neurosci , vol.20 , Issue.3 , pp. 369-383
    • Greenblatt, H.M.1    Dvir, H.2    Silman, I.3    Sussman, J.L.4
  • 32
    • 84860458020 scopus 로고    scopus 로고
    • Current and emerging treatments for the management of myasthenia gravis
    • Sathasivam,S.Current and emerging treatments for the management of myasthenia gravis. Ther. Clin. Risk Manag., 2011, 7, 313-323.
    • (2011) Ther. Clin. Risk Manag , vol.7 , pp. 313-323
    • Sathasivam, S.1
  • 33
    • 79951468795 scopus 로고    scopus 로고
    • Refractory bulbar and respiratory dysfunction in a young Chinese woman with seronegative, muscle-specific tyrosine kinase antibody-positive myasthenia gravis: Response to cyclophosphamide and rituximab treatment
    • Lau, A.Y.; Chan, A.Y.; Mok, V.C. Refractory bulbar and respiratory dysfunction in a young Chinese woman with seronegative, muscle-specific tyrosine kinase antibody-positive myasthenia gravis: response to cyclophosphamide and rituximab treatment. Hong Kong Med. J., 2011, 17(1), 77-79.
    • (2011) Hong Kong Med. J , vol.17 , Issue.1 , pp. 77-79
    • Lau, A.Y.1    Chan, A.Y.2    Mok, V.C.3
  • 34
    • 79961117546 scopus 로고    scopus 로고
    • A single-blinded trial of methotrexate versus azathioprine as steroid- sparingagents in generalized myasthenia gravis
    • Heckmann, J.M.; Rawoot, A.; Bateman, K; Renison, R.; Badri, M. A single-blinded trial of methotrexate versus azathioprine as steroid- sparingagents in generalized myasthenia gravis. BMC Neurol., 2011, 11, 97.
    • (2011) BMC Neurol , vol.11 , pp. 97
    • Heckmann, J.M.1    Rawoot, A.2    Bateman, K.3    Renison, R.4    Badri, M.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.