메뉴 건너뛰기




Volumn 16, Issue 10, 2010, Pages 1651-1670

In silico point mutation and evolutionary trace analysis applied to nicotinic acetylcholine receptors in deciphering ligand-binding surfaces

Author keywords

Evolutionary trace analysis; In silico point mutation; Ligand binding domain; Molecular docking; NAChR; Neurodegenerative disease

Indexed keywords

4 (N MALEIMIDO)BENZYLTRIMETHYLAMMONIUM; 4 (N MALEIMIDO)PHENYLTRIMETHYLAMMONIUM; ACETYLCHOLINE; AMMONIUM DERIVATIVE; BROMOACETYLCHOLINE; BUNGAROTOXIN RECEPTOR; CARBACHOL; CODEINE; CYSTEINE; DIHYDRO BETA ERYTHROIDINE; EPIBATIDINE; GALANTAMINE; GLUTAMINE; HEXAMETHONIUM; LOPHOTOXIN; MECAMYLAMINE; NICOTINE; NICOTINIC RECEPTOR; NICOTINIC RECEPTOR ALPHA4; PHENCYCLIDINE; PHYSOSTIGMINE; SERINE; SEROTONIN; TUBOCURARINE CHLORIDE; TYROSINE; UNCLASSIFIED DRUG;

EID: 77958040133     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-010-0670-3     Document Type: Article
Times cited : (3)

References (24)
  • 1
    • 48749107685 scopus 로고    scopus 로고
    • Alpha7 nicotinic acetylcholine receptors: Molecular pharmacology and role in neuroprotection
    • doi:10.1016/j.cacc.2008.05.001
    • Van Rensburg R, Chazot P (2008) Alpha7 nicotinic acetylcholine receptors: molecular pharmacology and role in neuroprotection. Curr Anaesth Crit Care 19(4):202-214. doi:10.1016/j.cacc.2008.05.001
    • (2008) Curr. Anaesth. Crit. Care , vol.19 , Issue.4 , pp. 202-214
    • Van Rensburg, R.1    Chazot, P.2
  • 2
    • 40649084279 scopus 로고    scopus 로고
    • Nicotinic receptors, allosteric proteins and medicine
    • doi:10.1016/j.molmed. 2008.01.001
    • Changeux JP, Taly A (2008) Nicotinic receptors, allosteric proteins and medicine. Trends Mol Med 14(3):93-102. doi:10.1016/j.molmed. 2008.01.001
    • (2008) Trends Mol. Med. , vol.14 , Issue.3 , pp. 93-102
    • Changeux, J.P.1    Taly, A.2
  • 3
    • 1842475289 scopus 로고    scopus 로고
    • Nicotine and carbamylcholine binding to nicotinic acetylcholine receptors as studied in AChBP crystal structures
    • doi:10.1016/S0896-6273 04 00115-1
    • Celie PH, van Rossum-Fikkert SE, van Dijk WJ, Brejc K, Smit AB, Sixma TK (2004) Nicotine and carbamylcholine binding to nicotinic acetylcholine receptors as studied in AChBP crystal structures. Neuron 41(6):907-914. doi:10.1016/S0896-6273 (04) 00115-1
    • (2004) Neuron , vol.41 , Issue.6 , pp. 907-914
    • Celie, P.H.1    Van Rossum-Fikkert, S.E.2    Van Dijk, W.J.3    Brejc, K.4    Smit, A.B.5    Sixma, T.K.6
  • 4
    • 0035902009 scopus 로고    scopus 로고
    • Crystal structure of an ACh-binding protein reveals the ligand-binding domain of nicotinic receptors
    • DOI 10.1038/35077011
    • Brejc K, van Dijk WJ, Klaassen RV, Schuurmans M, van der Oost J, Smit AB, Sixma TK (2001) Crystal structure of an AChbinding protein reveals the ligand-binding domain of nicotinic receptors. Nature 411(6835):269-276. doi:10.1038/35077011 (Pubitemid 32467026)
    • (2001) Nature , vol.411 , Issue.6835 , pp. 269-276
    • Brejc, K.1    Van Dijk, W.J.2    Klaassen, R.V.3    Schuurmans, M.4    Van Der Oost, J.5    Smit, A.B.6    Sixma, T.K.7
  • 6
    • 17944368301 scopus 로고    scopus 로고
    • The binding site of acetylcholine receptor as visualized in the X-Ray structure of a complex between alphabungarotoxin and a mimotope peptide
    • doi:10.1016/S0896-6273 01 00461-5
    • Harel M, Kasher R, Nicolas A, Guss JM, Balass M, Fridkin M, Smit AB, Brejc K, Sixma TK, Katchalski-Katzir E, Sussman JL, Fuchs S (2001) The binding site of acetylcholine receptor as visualized in the X-Ray structure of a complex between alphabungarotoxin and a mimotope peptide. Neuron 32(2):265-275. doi:10.1016/S0896-6273 (01) 00461-5
    • (2001) Neuron , vol.32 , Issue.2 , pp. 265-275
    • Harel, M.1    Kasher, R.2    Nicolas, A.3    Guss, J.M.4    Balass, M.5    Fridkin, M.6    Smit, A.B.7    Brejc, K.8    Sixma, T.K.9    Katchalski-Katzir, E.10    Sussman, J.L.11    Fuchs, S.12
  • 7
    • 18444411922 scopus 로고    scopus 로고
    • Crystal structure of a Cbtx-AChBP complex reveals essential interactions between snake alpha-neurotoxins and nicotinic receptors
    • DOI 10.1038/sj.emboj.7600620
    • Bourne Y, Talley TT, Hansen SB, Taylor P, Marchot P (2005) Crystal structure of a Cbtx-AChBP complex reveals essential interactions between snake alpha-neurotoxins and nicotinic receptors. EMBO J 24(8):1512-1522. doi:10.1038/sj.emboj.7600620 (Pubitemid 40646442)
    • (2005) EMBO Journal , vol.24 , Issue.8 , pp. 1512-1522
    • Bourne, Y.1    Talley, T.T.2    Hansen, S.B.3    Taylor, P.4    Marchot, P.5
  • 8
    • 34547520128 scopus 로고    scopus 로고
    • Crystal structure of the extracellular domain of nAChR alpha1 bound to alpha-bungarotoxin at 1.94 A resolution
    • DOI 10.1038/nn1942, PII NN1942
    • Dellisanti CD, Yao Y, Stroud JC, Wang ZZ, Chen L (2007) Crystal structure of the extracellular domain of nAChR alpha1 bound to alpha-bungarotoxin at 1.94 A resolution. Nat Neurosci 10(8):953-962. doi:10.1038/nn1942 (Pubitemid 47185209)
    • (2007) Nature Neuroscience , vol.10 , Issue.8 , pp. 953-962
    • Dellisanti, C.D.1    Yao, Y.2    Stroud, J.C.3    Wang, Z.-Z.4    Chen, L.5
  • 9
    • 13444271681 scopus 로고    scopus 로고
    • Refined structure of the nicotinic acetylcholine receptor at 4A resolution
    • DOI 10.1016/j.jmb.2004.12.031
    • Unwin N (2005) Refined structure of the nicotinic acetylcholine receptor at 4A resolution. J Mol Biol 346(4):967-989. doi:10.1016/j.jmb.2004.12.031 (Pubitemid 40215523)
    • (2005) Journal of Molecular Biology , vol.346 , Issue.4 , pp. 967-989
    • Unwin, N.1
  • 10
    • 0036480194 scopus 로고    scopus 로고
    • Emerging structure of the nicotinic acetylcholine receptors
    • DOI 10.1038/nrn731
    • Karlin A (2002) Emerging structure of the nicotinic acetylcholine receptors. Nat Rev Neurosci 3(2):102-114. doi:10.1038/nrn731 (Pubitemid 135706579)
    • (2002) Nature Reviews Neuroscience , vol.3 , Issue.2 , pp. 102-114
    • Karlin, A.1
  • 11
    • 0002315013 scopus 로고    scopus 로고
    • Structural model of nicotinic acetylcholine receptor isotypes bound to acetylcholine and nicotine
    • doi:10.1186/1472-6807-2-1
    • Schapira M, Abagyan R, Totrov M (2002) Structural model of nicotinic acetylcholine receptor isotypes bound to acetylcholine and nicotine. BMC Struct Biol 2(1):1-8. doi:10.1186/1472-6807-2-1
    • (2002) BMC Struct. Biol. , vol.2 , Issue.1 , pp. 1-8
    • Schapira, M.1    Abagyan, R.2    Totrov, M.3
  • 12
    • 0037022640 scopus 로고    scopus 로고
    • Models of the extracellular domain of the nicotinic receptors and of agonist-and Ca2+-binding sites
    • doi:10.1016/S0306-4522 00 00512-1
    • Le Novère N, Grutter T, Changeux JP (2002) Models of the extracellular domain of the nicotinic receptors and of agonist-and Ca2+-binding sites. Proc Natl Acad Sci USA 99(5):3210-3215. doi:10.1016/S0306-4522 (00) 00512-1
    • (2002) Proc. Natl. Acad. Sci. USA , vol.99 , Issue.5 , pp. 3210-3215
    • Le Novère, N.1    Grutter, T.2    Changeux, J.P.3
  • 13
    • 0035979711 scopus 로고    scopus 로고
    • Neuronal nicotinic receptors: From protein structure to function
    • DOI 10.1016/S0014-5793(01)02702-8, PII S0014579301027028
    • Itier V, Bertrand D (2001) Neuronal nicotinic receptors: from protein structure to function. FEBS Lett 504(3):118-125. doi:10.1016/S0014-5793 (01) 02702-8 (Pubitemid 32787059)
    • (2001) FEBS Letters , vol.504 , Issue.3 , pp. 118-125
    • Itier, V.1    Bertrand, D.2
  • 14
    • 34447131659 scopus 로고    scopus 로고
    • Barriers to ion translocation in cationic and anionic receptors from the cys-loop family
    • DOI 10.1021/ja070778l
    • Ivanov I, Cheng X, Sine SM, McCammon JA (2007) Barriers to ion translocation in cationic and anionic receptors from the Cysloop family. J Am Chem Soc 129(26):8217-8224. doi:10.1021/ja070778l (Pubitemid 47035135)
    • (2007) Journal of the American Chemical Society , vol.129 , Issue.26 , pp. 8217-8224
    • Ivanov, I.1    Cheng, X.2    Sine, S.M.3    McCammon, J.A.4
  • 15
    • 66949139010 scopus 로고    scopus 로고
    • Molecular modeling of human pentameric alpha (7) neuronal nicotinic acetylcholine receptor and its interaction with its agonist and competitive antagonist
    • doi:10.1016/j.jmgm.2008.01.004
    • Parthiban M, Rajasekaran MB, Ramakumar S, Shanmughavel P (2009) Molecular modeling of human pentameric alpha (7) neuronal nicotinic acetylcholine receptor and its interaction with its agonist and competitive antagonist. J Biomol Struct Dyn 26(5):535-548. doi:10.1016/j.jmgm.2008.01.004
    • (2009) J. Biomol. Struct. Dyn , vol.26 , Issue.5 , pp. 535-548
    • Parthiban, M.1    Rajasekaran, M.B.2    Ramakumar, S.3    Shanmughavel, P.4
  • 16
    • 0027136282 scopus 로고
    • Comparative protein modelling by satisfaction of spatial restraints
    • doi:10.1016/S1357-4310 95 91170-7
    • Sali A, Blundell TL (1993) Comparative protein modelling by satisfaction of spatial restraints. J Mol Biol 234(3):779-815. doi:10.1016/S1357-4310 (95) 91170-7
    • (1993) J. Mol. Biol. , vol.234 , Issue.3 , pp. 779-815
    • Sali, A.1    Blundell, T.L.2
  • 17
    • 0033824470 scopus 로고    scopus 로고
    • DaliLite workbench for protein structure comparison
    • Holm L, Park J (2000) DaliLite workbench for protein structure comparison. Bioinformatics 16(6):566-567
    • (2000) Bioinformatics , vol.16 , Issue.6 , pp. 566-567
    • Holm, L.1    Park, J.2
  • 19
    • 72949087747 scopus 로고    scopus 로고
    • Molecular modeling and docking studies of human 5-hydroxytryptamine 2A (5-HT2A) receptor for the identification of hotspots for ligand binding
    • doi: 10.1039/b906391a
    • Kanagarajadurai K, Malini M, Bhattacharya A, Panicker M, Sowdhamini R (2009) Molecular modeling and docking studies of human 5-hydroxytryptamine 2A (5-HT2A) receptor for the identification of hotspots for ligand binding. Mol BioSyst 5:1877-1888, doi: 10.1039/b906391a
    • (2009) Mol. BioSyst , vol.5 , pp. 1877-1888
    • Kanagarajadurai, K.1    Malini, M.2    Bhattacharya, A.3    Panicker, M.4    Sowdhamini, R.5
  • 20
    • 0030861438 scopus 로고    scopus 로고
    • The SWISS-PROT protein sequence data bank and its supplement TrEMBL
    • Bairoch A, Apweiler R (1997) The SWISS-PROT protein sequence data bank and its supplement TrEMBL. Nucleic Acids Res 25(1):31-36
    • (1997) Nucleic Acids Res. , vol.25 , Issue.1 , pp. 31-36
    • Bairoch, A.1    Apweiler, R.2
  • 21
    • 0034459679 scopus 로고    scopus 로고
    • Evolutionary trace analysis of TGF-beta and related growth factors: Implications for site-directed mutagenesis
    • Innis CA, Shi J, Blundell TL (2000) Evolutionary trace analysis of TGF-beta and related growth factors: implications for site-directed mutagenesis. Protein Eng 13(12):839-847
    • (2000) Protein Eng. , vol.13 , Issue.12 , pp. 839-847
    • Innis, C.A.1    Shi, J.2    Blundell, T.L.3
  • 22
    • 65449188232 scopus 로고    scopus 로고
    • Jalview Version 2-a multiple sequence alignment editor and analysis workbench
    • Waterhouse AM, Procter JB, Martin DM, Clamp M, Barton GJ (2009) Jalview Version 2-a multiple sequence alignment editor and analysis workbench. Bioinformatics 25(9):1189-1191
    • (2009) Bioinformatics , vol.25 , Issue.9 , pp. 1189-1191
    • Waterhouse, A.M.1    Procter, J.B.2    Martin, D.M.3    Clamp, M.4    Barton, G.J.5
  • 23
    • 0029913807 scopus 로고    scopus 로고
    • An evolutionary trace method defines binding surfaces common to protein families
    • DOI 10.1006/jmbi.1996.0167
    • Lichtarge O, Bourne HR, Cohen FE (1996) An evolutionary trace method defines binding surfaces common to protein families. J Mol Biol 257(2):342-358. doi:10.1006/jmbi.1996.0167 (Pubitemid 26114038)
    • (1996) Journal of Molecular Biology , vol.257 , Issue.2 , pp. 342-358
    • Lichtarge, O.1    Bourne, H.R.2    Cohen, F.E.3
  • 24
    • 56949096744 scopus 로고    scopus 로고
    • Molecular modeling of the three-dimensional structure of GLP-1R and its interactions with several agonists
    • doi:10.1007/s00894-008-0372-2
    • Lin F, Wang R (2009) Molecular modeling of the three-dimensional structure of GLP-1R and its interactions with several agonists. J Mol Model 15(1):53-65. doi:10.1007/s00894-008-0372-2
    • (2009) J. Mol. Model , vol.15 , Issue.1 , pp. 53-65
    • Lin, F.1    Wang, R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.