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Volumn 6, Issue 3, 2010, Pages 165-178

Modeling the interactions between α;1-adrenergic receptors and their antagonists

Author keywords

Homology modeling; Molecular docking; Molecular modeling; Pharmacophore

Indexed keywords

COMPUTATIONAL CHEMISTRY; LIGANDS; MOLECULAR BIOLOGY; PHARMACODYNAMICS;

EID: 78049526134     PISSN: 15734099     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340910791760082     Document Type: Article
Times cited : (12)

References (100)
  • 3
    • 75849125163 scopus 로고    scopus 로고
    • Subtypes of functional α1-adrenoceptor
    • Docherty, J.R. Subtypes of functional α1-adrenoceptor. Mol. Life Sci., 2010, 67, 405-417.
    • (2010) Mol. Life Sci , vol.67 , pp. 405-417
    • Docherty, J.R.1
  • 4
    • 0032587931 scopus 로고    scopus 로고
    • α1-adrenoceptor subtypes
    • Zhong, H.; Minneman, K.P. α1-adrenoceptor subtypes. Eur. J.Pharmacol., 1999, 375, 261-276.
    • (1999) Eur. J.Pharmacol , vol.375 , pp. 261-276
    • Zhong, H.1    Minneman, K.P.2
  • 6
    • 0033497867 scopus 로고    scopus 로고
    • Schematic representation of residue-based protein context-dependent data: An application totransmembrane proteins
    • Campagne, F.; Weinstein, H. Schematic representation of residue-based protein context-dependent data: an application totransmembrane proteins. J. Mol. Graph. Model., 1999, 17, 207-213.
    • (1999) J. Mol. Graph. Model , vol.17 , pp. 207-213
    • Campagne, F.1    Weinstein, H.2
  • 7
    • 0032999135 scopus 로고    scopus 로고
    • Adrenoceptor pharmacology:Urogenital applications
    • Ruffolo Jr., R.R.; Hieble, J.P. Adrenoceptor pharmacology:urogenital applications. Eur. Urol., 1999, 36 Suppl 1, 17-22.
    • (1999) Eur. Urol , vol.36 , Issue.SUPPL. 1 , pp. 17-22
    • Ruffolo Jr., R.R.1    Hieble, J.P.2
  • 9
    • 0032826054 scopus 로고    scopus 로고
    • Characterization of α-adrenoceptorsubtypes in the corpus cavernosum of patients undergoing sexchange surgery
    • Goepel, M.; Krege, S.; Price, D.T.; Michelotti, G.A.; Schwinn, D.A.; Michel, M.C. Characterization of α-adrenoceptorsubtypes in the corpus cavernosum of patients undergoing sexchange surgery. J. Urol., 1999, 162, 1793-1799.
    • (1999) J. Urol , vol.162 , pp. 1793-1799
    • Goepel, M.1    Krege, S.2    Price, D.T.3    Michelotti, G.A.4    Schwinn, D.A.5    Michel, M.C.6
  • 10
    • 0034662630 scopus 로고    scopus 로고
    • Suppression of human prostatecancer cell growth by α1-adrenoceptor antagonists doxazosinand terazosin via induction of apoptosis
    • Kyprianou, N.; Benning, C.M. Suppression of human prostatecancer cell growth by α1-adrenoceptor antagonists doxazosinand terazosin via induction of apoptosis. Cancer Res., 2000, 60,4550-4555.
    • (2000) Cancer Res , vol.60 , pp. 4550-4555
    • Kyprianou, N.1    Benning, C.M.2
  • 11
    • 0037079614 scopus 로고    scopus 로고
    • Quinazoline-derived α1-adrenoceptor antagonists induce prostate cancer cell apoptosis viaan α1-adrenoceptor-independent action
    • Benning, C.M.; Kyprianou, N. Quinazoline-derived α1-adrenoceptor antagonists induce prostate cancer cell apoptosis viaan α1-adrenoceptor-independent action. Cancer Res., 2002, 62,597-602.
    • (2002) Cancer Res , vol.62 , pp. 597-602
    • Benning, C.M.1    Kyprianou, N.2
  • 14
    • 0030956167 scopus 로고    scopus 로고
    • Pharmacological characterization of an α 1A-adrenoceptormediating contractile responses to noradrenaline in isolated caudalartery of rat
    • Lachnit, W.G.; Tran, A.M.; Clarke, D.E.; Ford, A.P.Pharmacological characterization of an α 1A-adrenoceptormediating contractile responses to noradrenaline in isolated caudalartery of rat. Br. J. Pharmacol., 1997, 120, 819-826.
    • (1997) Br. J. Pharmacol , vol.120 , pp. 819-826
    • Lachnit, W.G.1    Tran, A.M.2    Clarke, D.E.3    Ford, A.P.4
  • 15
    • 0029155804 scopus 로고
    • KMD-3213, a novel, potent, α 1a-adrenoceptor-selective antagonist: Characterization usingrecombinant human α 1-adrenoceptors and native tissues
    • Shibata, K.; Foglar, R.; Horie, K.; Obika, K.; Sakamoto, A.; Ogawa, S.; Tsujimoto, G. KMD-3213, a novel, potent, α 1a-adrenoceptor-selective antagonist: characterization usingrecombinant human α 1-adrenoceptors and native tissues. Mol.Pharmacol., 1995, 48, 250-258.
    • (1995) Mol.Pharmacol , vol.48 , pp. 250-258
    • Shibata, K.1    Foglar, R.2    Horie, K.3    Obika, K.4    Sakamoto, A.5    Ogawa, S.6    Tsujimoto, G.7
  • 18
    • 0032450153 scopus 로고    scopus 로고
    • Differences ofantagonism for a selective α1D-adrenoceptor antagonist BMY7378 in the rabbit thoracic aorta and iliac artery
    • Satoh, M.; Enomoto, K.; Takayanagi, I.; Koike, K. Differences ofantagonism for a selective α1D-adrenoceptor antagonist BMY7378 in the rabbit thoracic aorta and iliac artery. J. Smooth MuscleRes., 1998, 34, 151-158.
    • (1998) J. Smooth MuscleRes , vol.34 , pp. 151-158
    • Satoh, M.1    Enomoto, K.2    Takayanagi, I.3    Koike, K.4
  • 20
    • 0036169280 scopus 로고    scopus 로고
    • The binding site of aminergic G protein-coupled receptors: The transmembrane segments and secondextracellular loop
    • Shi, L.; Javitch, J.A. The binding site of aminergic G protein-coupled receptors: the transmembrane segments and secondextracellular loop. Annu. Rev. Pharmacol. Toxicol., 2002, 42, 437-467.
    • (2002) Annu. Rev. Pharmacol. Toxicol , vol.42 , pp. 437-467
    • Shi, L.1    Javitch, J.A.2
  • 21
    • 0020672499 scopus 로고
    • Differences in the applicability of the easson-stedman hypothesis tothe α 1- and α 2-adrenergic effects of phenethylamines andimidazolines
    • Ruffolo, R.R., Jr.; Rice, P.J.; Patil, P.N.; Hamada, A.; Miller, D.D.Differences in the applicability of the easson-stedman hypothesis tothe α 1- and α 2-adrenergic effects of phenethylamines andimidazolines. Eur. J. Pharmacol., 1983, 86, 471-475.
    • (1983) Eur. J. Pharmacol , vol.86 , pp. 471-475
    • Ruffolo Jr., R.R.1    Rice, P.J.2    Patil, P.N.3    Hamada, A.4    Miller, D.D.5
  • 22
    • 0020601960 scopus 로고
    • Evaluation of the adrenergic effects of a novel optically activecatecholamidine in vitro and in vivo: Differential application of theEasson-Stedman hypothesis to α and beta adrenoceptors
    • Ruffolo, R.R., Jr.; Banning, J.W.; Patil, P.N.; Hamada, A.; Miller, D.D. Evaluation of the adrenergic effects of a novel optically activecatecholamidine in vitro and in vivo: differential application of theEasson-Stedman hypothesis to α and beta adrenoceptors. J.Pharmacol. Exp. Ther., 1983, 226, 469-476.
    • (1983) J.Pharmacol. Exp. Ther , vol.226 , pp. 469-476
    • Ruffolo Jr., R.R.1    Banning, J.W.2    Patil, P.N.3    Hamada, A.4    Miller, D.D.5
  • 23
    • 0035816665 scopus 로고    scopus 로고
    • Phe-308 and Phe-312 intransmembrane domain 7 are major sites of α 1-adrenergicreceptor antagonist binding. Imidazoline agonists bind likeantagonists
    • Waugh, D.J.; Gaivin, R.J.; Zuscik, M.J.; Gonzalez-Cabrera, P.;Ross, S.A.; Yun, J.; Perez, D.M. Phe-308 and Phe-312 intransmembrane domain 7 are major sites of α 1-adrenergicreceptor antagonist binding. Imidazoline agonists bind likeantagonists. J. Biol. Chem., 2001, 276, 25366-25371.
    • (2001) J. Biol. Chem , vol.276 , pp. 25366-25371
    • Waugh, D.J.1    Gaivin, R.J.2    Zuscik, M.J.3    Gonzalez-Cabrera, P.4    Ross, S.A.5    Yun, J.6    Perez, D.M.7
  • 25
    • 8644284919 scopus 로고    scopus 로고
    • Bulk is adeterminant of oxymetazoline affinity for the α1A-adrenergicreceptor
    • McCune, D.; Gaivin, R.; Rorabaugh, B.; Perez, D. Bulk is adeterminant of oxymetazoline affinity for the α1A-adrenergicreceptor. Receptors Channels, 2004, 10, 109-116.
    • (2004) Receptors Channels , vol.10 , pp. 109-116
    • McCune, D.1    Gaivin, R.2    Rorabaugh, B.3    Perez, D.4
  • 26
    • 0029866748 scopus 로고    scopus 로고
    • The unique nature of the serine interactionsfor α 1-adrenergic receptor agonist binding and activation
    • Hwa, J.; Perez, D.M. The unique nature of the serine interactionsfor α 1-adrenergic receptor agonist binding and activation. J.Biol. Chem., 1996, 271, 6322-6327.
    • (1996) J.Biol. Chem , vol.271 , pp. 6322-6327
    • Hwa, J.1    Perez, D.M.2
  • 27
    • 33947244972 scopus 로고    scopus 로고
    • Structure-function of α1-adrenergic receptors
    • Perez, D.M. Structure-function of α1-adrenergic receptors.Biochem. Pharmacol., 2007, 73, 1051-1062.
    • (2007) Biochem. Pharmacol , vol.73 , pp. 1051-1062
    • Perez, D.M.1
  • 28
    • 41849105443 scopus 로고    scopus 로고
    • Mutational analysis of the α 1a-adrenergic receptor binding pocket of antagonists by radioligandbinding assay
    • Ahmed, M.; Hossain, M.; Bhuiyan, M.A.; Ishiguro, M.; Tanaka, T.; Muramatsu, I.; Nagatomo, T. Mutational analysis of the α 1a-adrenergic receptor binding pocket of antagonists by radioligandbinding assay. Biol. Pharm. Bull., 2008, 31, 598-601.
    • (2008) Biol. Pharm. Bull , vol.31 , pp. 598-601
    • Ahmed, M.1    Hossain, M.2    Bhuiyan, M.A.3    Ishiguro, M.4    Tanaka, T.5    Muramatsu, I.6    Nagatomo, T.7
  • 29
    • 0030577241 scopus 로고    scopus 로고
    • Amino acids of the α1B-adrenergic receptor involved inagonist binding: Differences in docking catecholamines to receptorsubtypes
    • Cavalli, A.; Fanelli, F.; Taddei, C.; De Benedetti, P.G.; Cotecchia, S. Amino acids of the α1B-adrenergic receptor involved inagonist binding: differences in docking catecholamines to receptorsubtypes. FEBS Lett., 1996, 399, 9-13.
    • (1996) FEBS Lett , vol.399 , pp. 9-13
    • Cavalli, A.1    Fanelli, F.2    Taddei, C.3    de Benedetti, P.G.4    Cotecchia, S.5
  • 30
    • 35348947909 scopus 로고    scopus 로고
    • Asp125 and Thr130 in transmembrane domain 3are major sites of α1b-adrenergic receptor antagonist binding
    • Takahashi, K.; Hossain, M.; Ahmed, M.; Bhuiyan, M.A.; Ohnuki, T.; Nagatomo, T. Asp125 and Thr130 in transmembrane domain 3are major sites of α1b-adrenergic receptor antagonist binding.Biol. Pharm. Bull., 2007, 30, 1891-1894.
    • (2007) Biol. Pharm. Bull , vol.30 , pp. 1891-1894
    • Takahashi, K.1    Hossain, M.2    Ahmed, M.3    Bhuiyan, M.A.4    Ohnuki, T.5    Nagatomo, T.6
  • 31
    • 0033522643 scopus 로고    scopus 로고
    • Phe310in transmembrane VI of the α1B-adrenergic receptor is a keyswitch residue involved in activation and catecholamine ringaromatic bonding
    • Chen, S.; Xu, M.; Lin, F.; Lee, D.; Riek, P.; Graham, R.M. Phe310in transmembrane VI of the α1B-adrenergic receptor is a keyswitch residue involved in activation and catecholamine ringaromatic bonding. J. Biol. Chem., 1999, 274, 16320-16330.
    • (1999) J. Biol. Chem , vol.274 , pp. 16320-16330
    • Chen, S.1    Xu, M.2    Lin, F.3    Lee, D.4    Riek, P.5    Graham, R.M.6
  • 33
    • 0037020329 scopus 로고    scopus 로고
    • Drug design strategies for targeting G-protein-coupled receptors
    • Klabunde, T.; Hessler, G. Drug design strategies for targeting G-protein-coupled receptors. Chembiochemistry, 2002, 3, 928-944.
    • (2002) Chembiochemistry , vol.3 , pp. 928-944
    • Klabunde, T.1    Hessler, G.2
  • 34
    • 73449121150 scopus 로고    scopus 로고
    • Structure-baseddrug design strategies in medicinal chemistry
    • Andricopulo, A.D.; Salum, L.B.; Abraham, D.J. Structure-baseddrug design strategies in medicinal chemistry. Curr. Top. Med.Chem., 2009, 9, 771-790.
    • (2009) Curr. Top. Med.Chem , vol.9 , pp. 771-790
    • Andricopulo, A.D.1    Salum, L.B.2    Abraham, D.J.3
  • 35
    • 51349130206 scopus 로고    scopus 로고
    • A ligand-based approach tomining the chemogenomic space of drugs
    • Gregori-Puigjane, E.; Mestres, J. A ligand-based approach tomining the chemogenomic space of drugs. Comb. Chem. High.Throughput Screen., 2008, 11, 669-676.
    • (2008) Comb. Chem. High.Throughput Screen , vol.11 , pp. 669-676
    • Gregori-Puigjane, E.1    Mestres, J.2
  • 37
    • 77249106566 scopus 로고    scopus 로고
    • Three-dimensional pharmacophore methods in drug discovery
    • Leach, A.R.; Gillet, V.J.; Lewis, R.A.; Taylor, R. Three-dimensional pharmacophore methods in drug discovery. J. Med.Chem., 2010, 53, 539-558.
    • (2010) J. Med.Chem , vol.53 , pp. 539-558
    • Leach, A.R.1    Gillet, V.J.2    Lewis, R.A.3    Taylor, R.4
  • 38
    • 0347755449 scopus 로고    scopus 로고
    • Predicting molecular interactions in silico: I. A guide topharmacophore identification and its applications to drug design
    • Dror, O.; Shulman-Peleg, A.; Nussinov, R.; Wolfson, H.J. Predicting molecular interactions in silico: I. A guide topharmacophore identification and its applications to drug design.Curr. Med. Chem., 2004, 11, 71-90.
    • (2004) Curr. Med. Chem , vol.11 , pp. 71-90
    • Dror, O.1    Shulman-Peleg, A.2    Nussinov, R.3    Wolfson, H.J.4
  • 39
    • 37649009919 scopus 로고    scopus 로고
    • Molecule-pharmacophore superpositioning and pattern matching incomputational drug design
    • Wolber, G.; Seidel, T.; Bendix, F.; Langer, T. Molecule-pharmacophore superpositioning and pattern matching incomputational drug design. Drug Discov. Today, 2008, 13, 23-29.
    • (2008) Drug Discov. Today , vol.13 , pp. 23-29
    • Wolber, G.1    Seidel, T.2    Bendix, F.3    Langer, T.4
  • 40
    • 0001383234 scopus 로고    scopus 로고
    • HypoGen: An automated system forgenerating 3D predictive pharmacophore models
    • Guner, O.F.; Ed. International University Line: La Jolla,CA
    • Li, H.; Sutter, J.; Hoffmann, R. HypoGen: an automated system forgenerating 3D predictive pharmacophore models. InPharmacophore Preception, Development and Use in DrugDesign, Guner, O.F.; Ed. International University Line: La Jolla,CA, 2000; pp. 171-189.
    • (2000) Pharmacophore Preception, Development and Use In DrugDesign , pp. 171-189
    • Li, H.1    Sutter, J.2    Hoffmann, R.3
  • 41
    • 0002212887 scopus 로고    scopus 로고
    • HipHop: Pharmacophores based onmultiple common-feature alignments
    • InternationalUniversity Line
    • Clement, O.O.; Mehl, A.T. HipHop: pharmacophores based onmultiple common-feature alignments. In PharmacophorePerception, Development & Use In Drug Design, InternationalUniversity Line: 2000; Vol. 2, pp. 69-84.
    • (2000) PharmacophorePerception, Development & Use In Drug Design , vol.2 , pp. 69-84
    • Clement, O.O.1    Mehl, A.T.2
  • 42
    • 0027548454 scopus 로고
    • A fast new approach to pharmacophore mapping andits application to dopaminergic and benzodiazepine agonists
    • Martin, Y.C.; Bures, M.G.; Danaher, E.A.; DeLazzer, J.; Lico, I.; Pavlik, P.A. A fast new approach to pharmacophore mapping andits application to dopaminergic and benzodiazepine agonists. J.Comput. Aided Mol. Des., 1993, 7, 83-102.
    • (1993) J.Comput. Aided Mol. Des , vol.7 , pp. 83-102
    • Martin, Y.C.1    Bures, M.G.2    Danaher, E.A.3    Delazzer, J.4    Lico, I.5    Pavlik, P.A.6
  • 43
    • 0013169898 scopus 로고    scopus 로고
    • GASP: Genetic algorithmsuperimposition program
    • Guner, O.F.; Ed. InternationalUniversity Line: La Jolla, CA
    • Jones, G.; Willett, P.; Glen, R.C. GASP: genetic algorithmsuperimposition program. In Pharmacophore Perception,Development & Use In Drug Design, Guner, O.F.; Ed. InternationalUniversity Line: La Jolla, CA, 2000, Vol. 2, pp. 85-106.
    • (2000) Pharmacophore Perception,Development & Use In Drug Design , vol.2 , pp. 85-106
    • Jones, G.1    Willett, P.2    Glen, R.C.3
  • 45
    • 33745213575 scopus 로고    scopus 로고
    • PHASE: A novelapproach to pharmacophore modeling and 3D database searching
    • Dixon, S.L.; Smondyrev, A.M.; Rao, S.N. PHASE: a novelapproach to pharmacophore modeling and 3D database searching.Chem. Biol. Drug Des., 2006, 67, 370-372.
    • (2006) Chem. Biol. Drug Des , vol.67 , pp. 370-372
    • Dixon, S.L.1    Smondyrev, A.M.2    Rao, S.N.3
  • 46
    • 33845868822 scopus 로고    scopus 로고
    • PHASE: A new engine for pharmacophoreperception, 3D QSAR model development, and 3D databasescreening: 1. Methodology and preliminary results
    • Dixon, S.L.; Smondyrev, A.M.; Knoll, E.H.; Rao, S.N.; Shaw, D.E.; Friesner, R.A. PHASE: a new engine for pharmacophoreperception, 3D QSAR model development, and 3D databasescreening: 1. Methodology and preliminary results. J. Comput.Aided Mol. Des., 2006, 20, 647-671.
    • (2006) J. Comput.Aided Mol. Des , vol.20 , pp. 647-671
    • Dixon, S.L.1    Smondyrev, A.M.2    Knoll, E.H.3    Rao, S.N.4    Shaw, D.E.5    Friesner, R.A.6
  • 47
    • 0036706746 scopus 로고    scopus 로고
    • A comparison of thepharmacophore identification programs: Catalyst, DISCO andGASP
    • Patel, Y.; Gillet, V.J.; Bravi, G.; Leach, A.R. A comparison of thepharmacophore identification programs: Catalyst, DISCO andGASP. J. Comput. Aided Mol. Des., 2002, 16, 653-681.
    • (2002) J. Comput. Aided Mol. Des , vol.16 , pp. 653-681
    • Patel, Y.1    Gillet, V.J.2    Bravi, G.3    Leach, A.R.4
  • 48
    • 84952939473 scopus 로고    scopus 로고
    • Pharmacophore ModelGeneration Software Tools
    • Langer, T.; Hoffmann, R.D.; Eds.WILEY-VCH Verlag GmbH & Co. KGaA: Weinheim
    • Poptodorov, K.; Luu, T.; Hoffmann, R.D. Pharmacophore ModelGeneration Software Tools. In Pharmacophores andPharmacophore Searches, Langer, T.; Hoffmann, R.D.; Eds.WILEY-VCH Verlag GmbH & Co. KGaA: Weinheim, 2006; pp.15-47.
    • (2006) Pharmacophores AndPharmacophore Searches , pp. 15-47
    • Poptodorov, K.1    Luu, T.2    Hoffmann, R.D.3
  • 49
    • 12444313681 scopus 로고    scopus 로고
    • Constructing biophore of uroselectivea1-adrenoceptor antagonist
    • Fang, H.; Lu, J.F.; Xia, L. Constructing biophore of uroselectivea1-adrenoceptor antagonist. J. Chin. Pharm. Sci., 2003, 12, 188-191.
    • (2003) J. Chin. Pharm. Sci , vol.12 , pp. 188-191
    • Fang, H.1    Lu, J.F.2    Xia, L.3
  • 50
    • 0031612326 scopus 로고    scopus 로고
    • 3DFS: A new 3D flexible searching system foruse in drug design
    • Wang, T.; Zhou, J. 3DFS: a new 3D flexible searching system foruse in drug design. J. Chem. Inf. Comput. Sci., 1998, 38, 71-77.
    • (1998) J. Chem. Inf. Comput. Sci , vol.38 , pp. 71-77
    • Wang, T.1    Zhou, J.2
  • 51
    • 20444418658 scopus 로고    scopus 로고
    • Pharmacophore-based design,synthesis, biological evaluation, and 3D-QSAR studies of aryl-piperazines as α(1)-adrenoceptor antagonists
    • Li, M.Y.; Fang, H.; Xia, L. Pharmacophore-based design,synthesis, biological evaluation, and 3D-QSAR studies of aryl-piperazines as α(1)-adrenoceptor antagonists. Bioorg. Med.Chem. Lett., 2005, 15, 3216-32169.
    • (2005) Bioorg. Med.Chem. Lett , vol.15 , pp. 3216-32169
    • Li, M.Y.1    Fang, H.2    Xia, L.3
  • 52
    • 27744567253 scopus 로고    scopus 로고
    • Design, synthesis and 3D-QSAR study of 2-[N '-(2-aryloxyethyl)piperazinomethyl]-benzoxazole series as 1-adrenoceptor antagonists
    • Wu, B.; Li, M.Y.; Jiang, Z.Z.; Xia, L. Design, synthesis and 3D-QSAR study of 2-[N '-(2-aryloxyethyl)piperazinomethyl]-benzoxazole series as 1-adrenoceptor antagonists. Acta Chim.Sinica, 2004, 62, 1430-1436.
    • (2004) Acta Chim.Sinica , vol.62 , pp. 1430-1436
    • Wu, B.1    Li, M.Y.2    Jiang, Z.Z.3    Xia, L.4
  • 53
    • 12144273645 scopus 로고    scopus 로고
    • Design, synthesis and 3D-QSAR study of N-substituted-3-indolyl-acetamide series as 1-adrenoceptor antagonists
    • Wu, B.; Li, M.Y.; Jiang, Z.Z.; Xia, L. Design, synthesis and 3D-QSAR study of N-substituted-3-indolyl-acetamide series as 1-adrenoceptor antagonists. Chinese J. Org. Chem., 2004, 24, 1587-1594.
    • (2004) Chinese J. Org. Chem , vol.24 , pp. 1587-1594
    • Wu, B.1    Li, M.Y.2    Jiang, Z.Z.3    Xia, L.4
  • 54
    • 33847174920 scopus 로고    scopus 로고
    • Pharmacophore-guided design,synthesis and evaluation of quinazoline-arylpiperazines as newα(1)-adrenoceptor antagonists
    • Fang, H.; Li, M.Y.; Xia, L. Pharmacophore-guided design,synthesis and evaluation of quinazoline-arylpiperazines as newα(1)-adrenoceptor antagonists. Chinese Chem. Lett., 2007, 18,41-44.
    • (2007) Chinese Chem. Lett , vol.18 , pp. 41-44
    • Fang, H.1    Li, M.Y.2    Xia, L.3
  • 55
    • 35348962010 scopus 로고    scopus 로고
    • Rational design, synthesis, biologic evaluation,and structure-activity relationship studies of novel 1-indanoneα(1)-adrenoceptor antagonists
    • Li, M.Y.; Xia, L. Rational design, synthesis, biologic evaluation,and structure-activity relationship studies of novel 1-indanoneα(1)-adrenoceptor antagonists. Chem. Biol. Drug Des., 2007,70, 461-464.
    • (2007) Chem. Biol. Drug Des , vol.70 , pp. 461-464
    • Li, M.Y.1    Xia, L.2
  • 56
    • 0035927444 scopus 로고    scopus 로고
    • Synthesis,Biological Evaluation, and Pharmacophore Generation of NewPyridazinone Derivatives with Affinity toward a1- and a2-Adrenoceptors
    • Barbaro, R.; Betti, L.; Botta, M.; Corelli, F.; Giannaccini, G.; Maccari, L.; Manetti, F.; Strappaghetti, G.; Corsano, S. Synthesis,Biological Evaluation, and Pharmacophore Generation of NewPyridazinone Derivatives with Affinity toward a1- and a2-Adrenoceptors. J. Med. Chem., 2001, 44, 2118-2132.
    • (2001) J. Med. Chem , vol.44 , pp. 2118-2132
    • Barbaro, R.1    Betti, L.2    Botta, M.3    Corelli, F.4    Giannaccini, G.5    Maccari, L.6    Manetti, F.7    Strappaghetti, G.8    Corsano, S.9
  • 58
    • 0027536475 scopus 로고
    • Effects of etoperidone on sympathetic andpituitary-adrenal responses to diverse stressors in humans
    • Costa, A.; Martignoni, E.; Blandini, F.; Petraglia, F.; Genazzani, A.R.; Nappi, G. Effects of etoperidone on sympathetic andpituitary-adrenal responses to diverse stressors in humans. Clin.Neuropharmacol., 1993, 16, 127-138.
    • (1993) Clin.Neuropharmacol , vol.16 , pp. 127-138
    • Costa, A.1    Martignoni, E.2    Blandini, F.3    Petraglia, F.4    Genazzani, A.R.5    Nappi, G.6
  • 59
    • 0021813735 scopus 로고
    • Effects ofiminodibenzyl antipsychotic drugs on cerebral dopamine andα-adrenergic receptors
    • Setoguchi, M.; Sakamori, M.; Takehara, S.; Fukuda, T. Effects ofiminodibenzyl antipsychotic drugs on cerebral dopamine andα-adrenergic receptors. Eur. J. Pharmacol., 1985, 112, 313-322.
    • (1985) Eur. J. Pharmacol , vol.112 , pp. 313-322
    • Setoguchi, M.1    Sakamori, M.2    Takehara, S.3    Fukuda, T.4
  • 60
    • 0022835763 scopus 로고
    • α 2-adrenergic agonist and α 1-adrenergic antagonist activity of ergotamine anddihydroergotamine in rats
    • Roquebert, J.; Grenie, B. α 2-adrenergic agonist and α 1-adrenergic antagonist activity of ergotamine anddihydroergotamine in rats. Arch. Int. Pharmacodyn. Ther., 1986,284, 30-37.
    • (1986) Arch. Int. Pharmacodyn. Ther , vol.284 , pp. 30-37
    • Roquebert, J.1    Grenie, B.2
  • 61
    • 0030341550 scopus 로고    scopus 로고
    • Pharmacophore developmentfor antagonists at 1 adrenergic receptor subtypes
    • Bremner, J.B.; Coban, B.; Griffith, R. Pharmacophore developmentfor antagonists at 1 adrenergic receptor subtypes. J. Comput.Aided Mol. Des., 1996, 10, 545-557.
    • (1996) J. Comput.Aided Mol. Des , vol.10 , pp. 545-557
    • Bremner, J.B.1    Coban, B.2    Griffith, R.3
  • 63
    • 33747883382 scopus 로고    scopus 로고
    • Selective pharmacophore design forα1-adrenoceptor subtypes
    • MacDougall, I.J.; Griffith, R. Selective pharmacophore design forα1-adrenoceptor subtypes. J. Mol. Graph. Model., 2006, 25,146-157.
    • (2006) J. Mol. Graph. Model , vol.25 , pp. 146-157
    • Macdougall, I.J.1    Griffith, R.2
  • 64
    • 12444300063 scopus 로고    scopus 로고
    • Pharmacophore identification ofα(1A)-adrenoceptor antagonists
    • Li, M.Y.; Tsai, K.C.; Xia, L. Pharmacophore identification ofα(1A)-adrenoceptor antagonists. Bioorg. Med. Chem. Lett.,2005, 15, 657-664.
    • (2005) Bioorg. Med. Chem. Lett , vol.15 , pp. 657-664
    • Li, M.Y.1    Tsai, K.C.2    Xia, L.3
  • 65
    • 36949022890 scopus 로고    scopus 로고
    • Predictive QSAR modeling workflow,model applicability domains, and virtual screening
    • Tropsha, A.; Golbraikh, A. Predictive QSAR modeling workflow,model applicability domains, and virtual screening. Curr. Pharm.Des., 2007, 13, 3494-3504.
    • (2007) Curr. Pharm.Des , vol.13 , pp. 3494-3504
    • Tropsha, A.1    Golbraikh, A.2
  • 67
  • 68
    • 47349088078 scopus 로고    scopus 로고
    • Recent advances in QSAR andtheir applications in predicting the activities of chemical molecules,peptides and proteins for drug design
    • Du, Q.S.; Huang, R.B.; Chou, K.C. Recent advances in QSAR andtheir applications in predicting the activities of chemical molecules,peptides and proteins for drug design. Curr. Protein Pept. Sci.,2008, 9, 248-260.
    • (2008) Curr. Protein Pept. Sci , vol.9 , pp. 248-260
    • Du, Q.S.1    Huang, R.B.2    Chou, K.C.3
  • 69
    • 2542481766 scopus 로고    scopus 로고
    • Quantitative structure-activity relationships of a1-adrenergicantagonists
    • Eric, S.; Solmajer, T.; Zupan, J.; Novic, M.; Oblak, M.; Agbaba, D.Quantitative structure-activity relationships of a1-adrenergicantagonists. J. Mol. Model., 2004, 10, 139-150.
    • (2004) J. Mol. Model , vol.10 , pp. 139-150
    • Eric, S.1    Solmajer, T.2    Zupan, J.3    Novic, M.4    Oblak, M.5    Agbaba, D.6
  • 70
    • 0033492421 scopus 로고    scopus 로고
    • Relevance of theoretical molecular descriptors in quantitativestructure-activity relationship analysis of a1-adrenergic receptorantagonists
    • Menziani, M.C.; Montorsi, M.; De Benedetti, P.G.; Karelson, M.Relevance of theoretical molecular descriptors in quantitativestructure-activity relationship analysis of a1-adrenergic receptorantagonists. Bioorg. Med. Chem., 1999, 7, 2437-2451.
    • (1999) Bioorg. Med. Chem , vol.7 , pp. 2437-2451
    • Menziani, M.C.1    Montorsi, M.2    de Benedetti, P.G.3    Karelson, M.4
  • 72
    • 0043092069 scopus 로고    scopus 로고
    • Self-organizing molecular fieldanalysis on a1a-adrenoceptor dihydropyridine antagonists
    • Li, M.Y.; Du, L.P.; Wu, B.; Xia, L. Self-organizing molecular fieldanalysis on a1a-adrenoceptor dihydropyridine antagonists. Bioorg.Med. Chem., 2003, 11, 3945-3951.
    • (2003) Bioorg.Med. Chem , vol.11 , pp. 3945-3951
    • Li, M.Y.1    Du, L.P.2    Wu, B.3    Xia, L.4
  • 73
    • 33646002994 scopus 로고    scopus 로고
    • Comparative modeling for protein structure prediction
    • Ginalski, K. Comparative modeling for protein structure prediction.Curr. Opin. Struct. Biol., 2006, 16, 172-177.
    • (2006) Curr. Opin. Struct. Biol , vol.16 , pp. 172-177
    • Ginalski, K.1
  • 74
    • 33744761830 scopus 로고    scopus 로고
    • Homology modeling of G-protein-coupled receptors and implications in drug design
    • Patny, A.; Desai, P.V.; Avery, M.A. Homology modeling of G-protein-coupled receptors and implications in drug design. Curr.Med. Chem., 2006, 13, 1667-1691.
    • (2006) Curr.Med. Chem , vol.13 , pp. 1667-1691
    • Patny, A.1    Desai, P.V.2    Avery, M.A.3
  • 76
    • 3242813635 scopus 로고    scopus 로고
    • Utility of homologymodels in the drug discovery process
    • Hillisch, A.; Pineda, L.F.; Hilgenfeld, R. Utility of homologymodels in the drug discovery process. Drug Discov. Today, 2004,9, 659-669.
    • (2004) Drug Discov. Today , vol.9 , pp. 659-669
    • Hillisch, A.1    Pineda, L.F.2    Hilgenfeld, R.3
  • 77
    • 67649518035 scopus 로고    scopus 로고
    • Homology modeling in drugdiscovery: Current trends and applications
    • Cavasotto, C.N.; Phatak, S.S. Homology modeling in drugdiscovery: current trends and applications. Drug Discov. Today,2009, 14, 676-683.
    • (2009) Drug Discov. Today , vol.14 , pp. 676-683
    • Cavasotto, C.N.1    Phatak, S.S.2
  • 78
    • 0032518244 scopus 로고    scopus 로고
    • It's not just a phase: Crystallization and X-ray structuredetermination of bacteriorhodopsin in lipidic cubic phases
    • Gouaux, E. It's not just a phase: crystallization and X-ray structuredetermination of bacteriorhodopsin in lipidic cubic phases.Structure, 1998, 6, 5-10.
    • (1998) Structure , vol.6 , pp. 5-10
    • Gouaux, E.1
  • 79
    • 0030864048 scopus 로고    scopus 로고
    • X-ray structure of bacteriorhodopsin at 2.5 angstroms frommicrocrystals grown in lipidic cubic phases
    • Pebay-Peyroula, E.; Rummel, G.; Rosenbusch, J.P.; Landau, E. M. X-ray structure of bacteriorhodopsin at 2.5 angstroms frommicrocrystals grown in lipidic cubic phases. Science, 1997, 277,1676-1681.
    • (1997) Science , vol.277 , pp. 1676-1681
    • Pebay-Peyroula, E.1    Rummel, G.2    Rosenbusch, J.P.3    Landau, E.M.4
  • 81
    • 0026517309 scopus 로고
    • On the useof the transmembrane domain of bacteriorhodopsin as a templatefor modeling the three-dimensional structure of guanine nucleotide-binding regulatory protein-coupled receptors
    • Pardo, L.; Ballesteros, J.A.; Osman, R.; Weinstein, H. On the useof the transmembrane domain of bacteriorhodopsin as a templatefor modeling the three-dimensional structure of guanine nucleotide-binding regulatory protein-coupled receptors. Proc. Natl. Acad. Sci.USA, 1992, 89, 4009-4012.
    • (1992) Proc. Natl. Acad. Sci.USA , vol.89 , pp. 4009-4012
    • Pardo, L.1    Ballesteros, J.A.2    Osman, R.3    Weinstein, H.4
  • 83
    • 21044450541 scopus 로고    scopus 로고
    • New prospects for drugdiscovery from structural studies of rhodopsin
    • Bosch, L.; Iarriccio, L.; Garriga, P. New prospects for drugdiscovery from structural studies of rhodopsin. Curr. Pharm. Des.,2005, 11, 2243-2256.
    • (2005) Curr. Pharm. Des , vol.11 , pp. 2243-2256
    • Bosch, L.1    Iarriccio, L.2    Garriga, P.3
  • 85
    • 33646163646 scopus 로고    scopus 로고
    • Receptor-based molecular modelingstudy on antagonist-bound human 1A, 1B and 1D-adrenoceptors
    • Li, M.Y.; Lu, J.F.; Xia, L. Receptor-based molecular modelingstudy on antagonist-bound human 1A, 1B and 1D-adrenoceptors.Acta Chim. Sinica, 2005, 63, 1875-1883.
    • (2005) Acta Chim. Sinica , vol.63 , pp. 1875-1883
    • Li, M.Y.1    Lu, J.F.2    Xia, L.3
  • 86
    • 0037063701 scopus 로고    scopus 로고
    • Identification of binding sites of prazosin,tamsulosin and KMD-3213 with α(1)-adrenergic receptorsubtypes by molecular modeling
    • Ishiguro, M.; Futabayashi, Y.; Ohnuki, T.; Ahmed, M.; Muramatsu, I.; Nagatomo, T. Identification of binding sites of prazosin,tamsulosin and KMD-3213 with α(1)-adrenergic receptorsubtypes by molecular modeling. Life Sci., 2002, 71, 2531-2541.
    • (2002) Life Sci , vol.71 , pp. 2531-2541
    • Ishiguro, M.1    Futabayashi, Y.2    Ohnuki, T.3    Ahmed, M.4    Muramatsu, I.5    Nagatomo, T.6
  • 87
    • 5144229682 scopus 로고    scopus 로고
    • Computationaldevelopment of an α1A-adrenoceptor model in a membranemimic
    • Kinsella, G.K.; Rozas, I.; Watson, G.W. Computationaldevelopment of an α1A-adrenoceptor model in a membranemimic. Biochem. Biophys. Res. Commun., 2004, 324, 916-921.
    • (2004) Biochem. Biophys. Res. Commun , vol.324 , pp. 916-921
    • Kinsella, G.K.1    Rozas, I.2    Watson, G.W.3
  • 88
    • 2642548891 scopus 로고    scopus 로고
    • Binding siteanalysis of full-length α1a adrenergic receptor using homologymodeling and molecular docking
    • Pedretti, A.; Elena Silva, M.; Villa, L.; Vistoli, G. Binding siteanalysis of full-length α1a adrenergic receptor using homologymodeling and molecular docking. Biochem. Biophys. Res.Commun., 2004, 319, 493-500.
    • (2004) Biochem. Biophys. Res.Commun , vol.319 , pp. 493-500
    • Pedretti, A.1    Elena Silva, M.2    Villa, L.3    Vistoli, G.4
  • 89
    • 0034623005 scopus 로고    scopus 로고
    • T-Coffee: A novelmethod for fast and accurate multiple sequence alignment
    • Notredame, C.; Higgins, D.G.; Heringa, J. T-Coffee: A novelmethod for fast and accurate multiple sequence alignment. J. Mol.Biol., 2000, 302, 205-217.
    • (2000) J. Mol.Biol , vol.302 , pp. 205-217
    • Notredame, C.1    Higgins, D.G.2    Heringa, J.3
  • 90
    • 0043123208 scopus 로고    scopus 로고
    • ESPript/ENDscript: Extractingand rendering sequence and 3D information from atomic structuresof proteins
    • Gouet, P.; Robert, X.; Courcelle, E. ESPript/ENDscript: Extractingand rendering sequence and 3D information from atomic structuresof proteins. Nucleic Acids Res., 2003, 31, 3320-3323.
    • (2003) Nucleic Acids Res , vol.31 , pp. 3320-3323
    • Gouet, P.1    Robert, X.2    Courcelle, E.3
  • 96
    • 38749131545 scopus 로고    scopus 로고
    • New G-protein-coupled receptorcrystal structures: Insights and limitations
    • Kobilka, B.; Schertler, G.F. New G-protein-coupled receptorcrystal structures: insights and limitations. Trends Pharmacol. Sci.,2008, 29, 79-83.
    • (2008) Trends Pharmacol. Sci , vol.29 , pp. 79-83
    • Kobilka, B.1    Schertler, G.F.2
  • 97
    • 66249144426 scopus 로고    scopus 로고
    • The structureand function of G-protein-coupled receptors
    • Rosenbaum, D.M.; Rasmussen, S.G.; Kobilka, B.K. The structureand function of G-protein-coupled receptors. Nature, 2009, 459,356-363.
    • (2009) Nature , vol.459 , pp. 356-363
    • Rosenbaum, D.M.1    Rasmussen, S.G.2    Kobilka, B.K.3
  • 98
    • 69049108756 scopus 로고    scopus 로고
    • Modern homologymodeling of G-protein coupled receptors: Which structural templateto use
    • Mobarec, J.C.; Sanchez, R.; Filizola, M. Modern homologymodeling of G-protein coupled receptors: which structural templateto use? J. Med. Chem., 2009, 52, 5207-5216.
    • (2009) J. Med. Chem , vol.52 , pp. 5207-5216
    • Mobarec, J.C.1    Sanchez, R.2    Filizola, M.3
  • 99
    • 50349086700 scopus 로고    scopus 로고
    • Computationalstudies of the binding site of 1A-adrenoceptor antagonists
    • Li, M.Y.; Fang, H.; Du, L.P.; Xia, L.; Wang, B.H. Computationalstudies of the binding site of 1A-adrenoceptor antagonists. J. Mol.Model., 2008, 14, 957-966.
    • (2008) J. Mol.Model , vol.14 , pp. 957-966
    • Li, M.Y.1    Fang, H.2    Du, L.P.3    Xia, L.4    Wang, B.H.5


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