SCOPUS 정보 검색 플랫폼

Journal of Molecular Graphics and Modelling

Volumn 53, Issue , 2014, Pages 148-160

Discovery of high affinity ligands for β2-adrenergic receptor through pharmacophore-based high-throughput virtual screening and docking

(2) Yakar, Ruya a Akten, Ebru Demet a

a KADIR HAS UNIVERSITY (Turkey)

Author keywords

Docking; Pharmacophore modeling; Scoring; Virtual screening

Indexed keywords

DATABASE SYSTEMS; DOCKING; SCAFFOLDS; ZINC;

ADRENERGIC RECEPTORS; DISCRIMINATORY POWER; HIGH AFFINITY LIGANDS; HUMAN INTESTINAL ABSORPTIONS; PHARMACOPHORE MODELING; SCORING; STRUCTURAL SIMILARITY; VIRTUAL SCREENING;

PHARMACODYNAMICS;

ALPRENOLOL; BETA 2 ADRENERGIC RECEPTOR; CARAZOLOL; CARVEDILOL; LIGAND; TIMOLOL; BETA 2 ADRENERGIC RECEPTOR BLOCKING AGENT; MOLECULAR LIBRARY; PROTEIN BINDING;

ARTICLE; BINDING AFFINITY; BLOOD BRAIN BARRIER; CONFORMATION; CRYSTAL STRUCTURE; DATA BASE; DRUG ADSORPTION; EVALUATION STUDY; HIGH THROUGHPUT SCREENING; HUMAN; HYDROGEN BOND; INTESTINE ABSORPTION; MOLECULAR DOCKING; PHARMACOPHORE; PRIORITY JOURNAL; BINDING SITE; CHEMISTRY; DRUG DEVELOPMENT; MOLECULAR LIBRARY; PROTEIN TERTIARY STRUCTURE;

ADRENERGIC BETA-2 RECEPTOR ANTAGONISTS; BINDING SITES; DRUG DISCOVERY; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; RECEPTORS, ADRENERGIC, BETA-2; SMALL MOLECULE LIBRARIES;

EID: 84906234617 PISSN: 10933263 EISSN: 18734243 Source Type: Journal
DOI: 10.1016/j.jmgm.2014.07.007 Document Type: Article

Times cited : (5)

References (27)

1
- 80053297434
- P.A. Marjin, S. Verhoeven, C. de Graaf, L. Roumen, B. Vroling, B.S. Nabuurs, J. de Vlieg, and P.G. Klomp J. Chem. Inf. Model. 51 2011 2277 2292
- (2011) J. Chem. Inf. Model. , vol.51 , pp. 2277-2292
- Marjin, P.A.¹ Verhoeven, S.² De Graaf, C.³ Roumen, L.⁴ Vroling, B.⁵ Nabuurs, B.S.⁶ De Vlieg, J.⁷ Klomp, P.G.⁸

2
- 66249144426
- D.M. Rosenbaum, S.G. Rasmussen, and B.K. Kobilka Nature 459 2009 356 363
- (2009) Nature , vol.459 , pp. 356-363
- Rosenbaum, D.M.¹ Rasmussen, S.G.² Kobilka, B.K.³

3
- 3843095917
- M.O. Becker, Y. Marantz, S. Shacham, B. Inbal, A. Helfetz, O. Kalid, S. Bar-Halm, D. Warshaviak, M. Fichman, and S. Noiman Proc. Natl. Acad. Sci. U.S.A. 101 2004 11304 11309
- (2004) Proc. Natl. Acad. Sci. U.S.A. , vol.101 , pp. 11304-11309
- Becker, M.O.¹ Marantz, Y.² Shacham, S.³ Inbal, B.⁴ Helfetz, A.⁵ Kalid, O.⁶ Bar-Halm, S.⁷ Warshaviak, D.⁸ Fichman, M.⁹ Noiman, S.¹⁰

4
- 33749521608
- K. Lundstrom Curr. Protein Pept. Sci. 7 2006 465 470
- (2006) Curr. Protein Pept. Sci. , vol.7 , pp. 465-470
- Lundstrom, K.¹

5
- 33751547539
- J.P. Overington, B. Al-Lazikani, and A.L. Hopkins Nat. Rev. Drug. Discov. 5 2006 993 996
- (2006) Nat. Rev. Drug. Discov. , vol.5 , pp. 993-996
- Overington, J.P.¹ Al-Lazikani, B.² Hopkins, A.L.³

6
- 33646526072
- S. Schlyer, and R. Horuk Drug Discov. Today 11 2006 481 493
- (2006) Drug Discov. Today , vol.11 , pp. 481-493
- Schlyer, S.¹ Horuk, R.²

7
- 36248970132
- S.G.F. Rasmussen, H.J. Choi, M.D. Rosenbaum, T.S. Kobilka, S.F. Thian, C.P. Edwards, M. Burghammer, R.P.V. Ratnala, R. Sanishvili, F.R. Fischetti, F.X.G. Schertler, I.W. Weis, and B.K. Kobilka Nature 450 2007 383 388
- (2007) Nature , vol.450 , pp. 383-388
- Rasmussen, S.G.F.¹ Choi, H.J.² Rosenbaum, M.D.³ Kobilka, T.S.⁴ Thian, S.F.⁵ Edwards, C.P.⁶ Burghammer, M.⁷ Ratnala, R.P.V.⁸ Sanishvili, R.⁹ Fischetti, F.R.¹⁰ Schertler, F.X.G.¹¹ Weis, I.W.¹² Kobilka, B.K.¹³

8
- 80053300057
- M. Wada, E. Kanamori, H. Nakamura, and Y. Fukunishi J. Chem. Inf. Model. 51 2011 2398 2407
- (2011) J. Chem. Inf. Model. , vol.51 , pp. 2398-2407
- Wada, M.¹ Kanamori, E.² Nakamura, H.³ Fukunishi, Y.⁴

9
- 66149149851
- P. Kolb, D.M. Rosenbaum, J.J. Irwin, J.J. Fung, B.K. Kobilka, and B.K. Shoichet Proc. Natl. Acad. Sci. U.S.A. 106 2009 6843 6848
- (2009) Proc. Natl. Acad. Sci. U.S.A. , vol.106 , pp. 6843-6848
- Kolb, P.¹ Rosenbaum, D.M.² Irwin, J.J.³ Fung, J.J.⁴ Kobilka, B.K.⁵ Shoichet, B.K.⁶

10
- 39849101195
- S. Topiol, and M. Sabio Bioorg. Med. Chem. Lett. 18 2008 1598 1602
- (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 1598-1602
- Topiol, S.¹ Sabio, M.²

11
- 53349102957
- M. Sabio, K. Jones, and S. Topiol Bioorg. Med. Chem. Lett. 18 2008 5391 5395
- (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 5391-5395
- Sabio, M.¹ Jones, K.² Topiol, S.³

12
- 50249156843
- C. de Graaf, and D. Rognan J. Med. Chem. 51 2008 4978 4985
- (2008) J. Med. Chem. , vol.51 , pp. 4978-4985
- De Graaf, C.¹ Rognan, D.²

13
- 77955779227
- D. Wacker, G. Fenalti, M.A. Brown, V. Katritch, R. Abagyan, V. Cherezov, and R.C. Stevens J. Am. Chem. Soc. 132 2010 11443 11445
- (2010) J. Am. Chem. Soc. , vol.132 , pp. 11443-11445
- Wacker, D.¹ Fenalti, G.² Brown, M.A.³ Katritch, V.⁴ Abagyan, R.⁵ Cherezov, V.⁶ Stevens, R.C.⁷

14
- 79751525956
- S. Vilar, G. Ferinoa, S.S. Phatakb, B. Berka, C.N. Cavasotto, and S. Costanzia J. Mol. Graph. Model. 29 2011 614 623
- (2011) J. Mol. Graph. Model. , vol.29 , pp. 614-623
- Vilar, S.¹ Ferinoa, G.² Phatakb, S.S.³ Berka, B.⁴ Cavasotto, C.N.⁵ Costanzia, S.⁶

15
- 77953286732
- S. Tasler, R. Baumgartner, A. Aschenbrenner, A. Ammendola, K. Wolf, T. Wieber, J. Schachtner, M. Blisse, U. Quotschalla, and P. Ney Bioorg. Med. Chem. Lett. 20 2010 3399 3404
- (2010) Bioorg. Med. Chem. Lett. , vol.20 , pp. 3399-3404
- Tasler, S.¹ Baumgartner, R.² Aschenbrenner, A.³ Ammendola, A.⁴ Wolf, K.⁵ Wieber, T.⁶ Schachtner, J.⁷ Blisse, M.⁸ Quotschalla, U.⁹ Ney, P.¹⁰

16
- 13844312649
- J.J. Irwin, and K.B. Shoichet J. Chem. Inf. Model. 45 2005 177 182
- (2005) J. Chem. Inf. Model. , vol.45 , pp. 177-182
- Irwin, J.J.¹ Shoichet, K.B.²

17
- 33644875256
- Y. Okuno, J. Yang, K. Taneishi, H. Yabuuchi, and G. Tsujimoto Nucleic Acids Res. 34 2006 673 677
- (2006) Nucleic Acids Res. , vol.34 , pp. 673-677
- Okuno, Y.¹ Yang, J.² Taneishi, K.³ Yabuuchi, H.⁴ Tsujimoto, G.⁵

18
- 13844320566
- G. Wolber, and T. Langer J. Chem. Inf. Model. 45 2005 160 169
- (2005) J. Chem. Inf. Model. , vol.45 , pp. 160-169
- Wolber, G.¹ Langer, T.²

19
- 70349932423
- G.M. Morris, R. Huey, W. Lindstrom, M.F. Sanner, R.K. Belew, D.S. Goodsell, and A.J. Olson J. Comput. Chem. 30 2009 2785 2791
- (2009) J. Comput. Chem. , vol.30 , pp. 2785-2791
- Morris, G.M.¹ Huey, R.² Lindstrom, W.³ Sanner, M.F.⁴ Belew, R.K.⁵ Goodsell, D.S.⁶ Olson, A.J.⁷

20
- 0028854034
- G. Jones, P. Willett, and R.C. Glen J. Mol. Biol. 245 1995 43 53
- (1995) J. Mol. Biol. , vol.245 , pp. 43-53
- Jones, G.¹ Willett, P.² Glen, R.C.³

21
- 0034645763
- H. Gohlke, M. Hendlich, and G. Klebe J. Mol. Biol. 295 2000 337 356
- (2000) J. Mol. Biol. , vol.295 , pp. 337-356
- Gohlke, H.¹ Hendlich, M.² Klebe, G.³

22
- 0034687231
- W.J. Egan, K.M. Merz, and J.J. Baldwin J. Med. Chem. 43 2000 3867 3877
- (2000) J. Med. Chem. , vol.43 , pp. 3867-3877
- Egan, W.J.¹ Merz, K.M.² Baldwin, J.J.³

23
- 33644876210
- D.S. Wishart, C. Knox, A.C. Guo, S. Shrivastava, M. Hassanali, P. Stothard, Z. Chang, and J. Woolsey Nucleic Acids Res. 34 Database issue 2006 D668 D672
- (2006) Nucleic Acids Res. , vol.34 , Issue.DATABASE ISSUE
- Wishart, D.S.¹ Knox, C.² Guo, A.C.³ Shrivastava, S.⁴ Hassanali, M.⁵ Stothard, P.⁶ Chang, Z.⁷ Woolsey, J.⁸

24
- 80054911951
- R.A. Laskowski, and M.B. Swindells J. Chem. Inf. Model. 51 2011 2778 2786
- (2011) J. Chem. Inf. Model. , vol.51 , pp. 2778-2786
- Laskowski, R.A.¹ Swindells, M.B.²

25
- 0142180168
- J. Ogata, T. Okamoto, and K. Minami Can. J. Anaesth. 50 2003 753
- (2003) Can. J. Anaesth. , vol.50 , pp. 753
- Ogata, J.¹ Okamoto, T.² Minami, K.³

26
- 0017595572
- T.J. Zimmerman, and H.E. Kaufman Arch. Ophthalmol. 95 1977 601 604
- (1977) Arch. Ophthalmol. , vol.95 , pp. 601-604
- Zimmerman, T.J.¹ Kaufman, H.E.²

27
- 0026594073
- B. Macchia, A. Balsamo, M.C. Breschi, A. Lapucci, A. Lucacchini, F. Macchia, C. Manera, A. Martinelli, C. Martini, E. Martinotti, and S. Nencetti J. Med. Chem. 35 1992 1009 1018
- (1992) J. Med. Chem. , vol.35 , pp. 1009-1018
- MacChia, B.¹ Balsamo, A.² Breschi, M.C.³ Lapucci, A.⁴ Lucacchini, A.⁵ MacChia, F.⁶ Manera, C.⁷ Martinelli, A.⁸ Martini, C.⁹ Martinotti, E.¹⁰ Nencetti, S.¹¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.