SCOPUS 정보 검색 플랫폼

Volumn 2, Issue 6, 2007, Pages 861-873

Analysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structure

(9) Bender, Andreas a Scheiber, Josef a Glick, Meir a Davies, John W a Azzaoui, Kamal b Hamon, Jacques b Urban, Laszlo a Whitebread, Steven a Jenkins, Jeremy L a

a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH (United States)

b NOVARTIS PHARMA AG (Switzerland)

Author keywords

Adverse drug reactions; Compound profiling; Drug side effects; Preclinical profiling; Safety pharmacology

Indexed keywords

BENPERIDOL; DRUG; LIGAND; NEUROLEPTIC AGENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMICALLY INDUCED DISORDER; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; DRUG DELIVERY SYSTEM; DRUG DESIGN; DRUG SCREENING; FACTUAL DATABASE; HEART ARRHYTHMIA; PREDICTION AND FORECASTING;

ANTIPSYCHOTIC AGENTS; ARRHYTHMIAS, CARDIAC; BENPERIDOL; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DELIVERY SYSTEMS; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; LIGANDS; MODELS, CHEMICAL; MODELS, MOLECULAR; PHARMACEUTICAL PREPARATIONS; PREDICTIVE VALUE OF TESTS;

EID: 40049100210 PISSN: 18607179 EISSN: 18607187 Source Type: Journal
DOI: 10.1002/cmdc.200700026 Document Type: Article

Times cited : (288)

References (62)

1
- 4344645978
- I. Kola, J. Landis, Nat. Rev. Drug Discovery 2004, 3, 711-715.
- (2004) Nat. Rev. Drug Discovery , vol.3 , pp. 711-715
- Kola, I.¹ Landis, J.²

2
- 0036570099
- K. E. Lasser, P. D. Allen, S. J. Woolhandler, D. U. Himmelstein, S. N. Wolfe, D. H. Bor, J. Am. Med. Assoc. 2002, 287, 2215-2220.
- (2002) J. Am. Med. Assoc , vol.287 , pp. 2215-2220
- Lasser, K.E.¹ Allen, P.D.² Woolhandler, S.J.³ Himmelstein, D.U.⁴ Wolfe, S.N.⁵ Bor, D.H.⁶

3
- 20444465945
- J. Wang, L. Urban, Drug Discov. World 2004, 73-86.
- (2004) Drug Discov. World , pp. 73-86
- Wang, J.¹ Urban, L.²

4
- 18044404125
- F. Charatan, Br. Med. J. 2001, 323, 359-359.
- (2001) Br. Med. J , vol.323 , pp. 359-359
- Charatan, F.¹

5
- 5144221835
- P. A. Dieppe, S. Ebrahim, P. Juni, Br. Med. J. 2004, 329, 867-868.
- (2004) Br. Med. J , vol.329 , pp. 867-868
- Dieppe, P.A.¹ Ebrahim, S.² Juni, P.³

6
- 0037186874
- D. J. Snodin, Toxicol. Lett. 2002, 127, 161-168.
- (2002) Toxicol. Lett , vol.127 , pp. 161-168
- Snodin, D.J.¹

7
- 0025597019
- P. D. Williams, Regul. Toxicol. Pharmacol. 1990, 12, 238-252.
- (1990) Regul. Toxicol. Pharmacol , vol.12 , pp. 238-252
- Williams, P.D.¹

8
- 2542487205
- A. Bass, L. Kinter, P. Williams, J. Pharmacol. Toxicol. Methods 2004, 49, 145-151.
- (2004) J. Pharmacol. Toxicol. Methods , vol.49 , pp. 145-151
- Bass, A.¹ Kinter, L.² Williams, P.³

9
- 54849413936
- S7A Safety Pharmacology Studies for Human Pharmaceuticals. U. S. Department of Health and Human Services. Food and Drug Administration, United States of America. Available Online at http://www.fda.gov/Cder/guidance/4461fnl. htm.
- S7A Safety Pharmacology Studies for Human Pharmaceuticals. U. S. Department of Health and Human Services. Food and Drug Administration, United States of America. Available Online at http://www.fda.gov/Cder/guidance/4461fnl. htm.

10
- 26944446576
- S. Whitebread, J. Hamon, D. Bojanic, L. Urban, Drug Discovery Today 2005, 10, 1421-1433.
- (2005) Drug Discovery Today , vol.10 , pp. 1421-1433
- Whitebread, S.¹ Hamon, J.² Bojanic, D.³ Urban, L.⁴

11
- 0036422569
- I. D. Wakefield, C. Pollard, W. S. Redfern, T. G. Hammond, J. P. Valentin, Fundam. Clin. Pharmacol. 2002, 16, 209-218.
- (2002) Fundam. Clin. Pharmacol , vol.16 , pp. 209-218
- Wakefield, I.D.¹ Pollard, C.² Redfern, W.S.³ Hammond, T.G.⁴ Valentin, J.P.⁵

12
- 0029002969
- M. C. Sanguinetti, C. Jiang, M. E. Curran, M. T. Keating, Cell 1995, 81, 299-307.
- (1995) Cell , vol.81 , pp. 299-307
- Sanguinetti, M.C.¹ Jiang, C.² Curran, M.E.³ Keating, M.T.⁴

13
- 0028914969
- M. E. Curran, I. Splawski, K. W. Timothy, G. M. Vincent, E. D. Green, M. T. Keating, Cell 1995, 80, 795-803.
- (1995) Cell , vol.80 , pp. 795-803
- Curran, M.E.¹ Splawski, I.² Timothy, K.W.³ Vincent, G.M.⁴ Green, E.D.⁵ Keating, M.T.⁶

14
- 0036904104
- O. Roche, G. Trube, J. Zuegge, P. Pflimlin, A. Alanine, G. Schneider, ChemBioChem 2002, 3, 455-459.
- (2002) ChemBioChem , vol.3 , pp. 455-459
- Roche, O.¹ Trube, G.² Zuegge, J.³ Pflimlin, P.⁴ Alanine, A.⁵ Schneider, G.⁶

15
- 33645317063
- M. C. Sanguinetti, M. Tristan-Firouzi, Nat. Chem. Biol. 2006, 440, 463-469.
- (2006) Nat. Chem. Biol , vol.440 , pp. 463-469
- Sanguinetti, M.C.¹ Tristan-Firouzi, M.²

16
- 33644524405
- P. Hoffmann, B. Warner, J. Pharmacol. Toxicol. Methods 2006, 53, 87-105.
- (2006) J. Pharmacol. Toxicol. Methods , vol.53 , pp. 87-105
- Hoffmann, P.¹ Warner, B.²

17
- 0344492207
- W. S. Redfern, L. Carlsson, A. S. Davis, W. G. Lynch, I. MacKenzie, S. Palethorpe, P. K. Siegl, I. Strang, A. T. Sullivan, R. Wallis, A. J. Camm, T. G. Hammond, Cardiovasc. Res. 2003, 58, 32-45.
- (2003) Cardiovasc. Res , vol.58 , pp. 32-45
- Redfern, W.S.¹ Carlsson, L.² Davis, A.S.³ Lynch, W.G.⁴ MacKenzie, I.⁵ Palethorpe, S.⁶ Siegl, P.K.⁷ Strang, I.⁸ Sullivan, A.T.⁹ Wallis, R.¹⁰ Camm, A.J.¹¹ Hammond, T.G.¹²

18
- 1542327276
- S. Ekins, Drug Discovery Today 2004, 9, 276-285.
- (2004) Drug Discovery Today , vol.9 , pp. 276-285
- Ekins, S.¹

19
- 0036136534
- S. Ekins, J. A. Erickson, Drug Metab. Dispos. 2002, 30, 96-99.
- (2002) Drug Metab. Dispos , vol.30 , pp. 96-99
- Ekins, S.¹ Erickson, J.A.²

20
- 35248817286
- K. Azzaoui, J. Hamon, B. Faller, S. Whitebread, E. Jacoby, A. Bender, J. Jenkins, L. Urban, ChemMedChem, 2007, 2, 874-880
- (2007) ChemMedChem , vol.2 , pp. 874-880
- Azzaoui, K.¹ Hamon, J.² Faller, B.³ Whitebread, S.⁴ Jacoby, E.⁵ Bender, A.⁶ Jenkins, J.⁷ Urban, L.⁸

21
- 0038460858
- S. L. McGovern, B. K. Shoichet, J. Med. Chem. 2003, 46, 2895-2907.
- (2003) J. Med. Chem , vol.46 , pp. 2895-2907
- McGovern, S.L.¹ Shoichet, B.K.²

22
- 0037061628
- S. L. McGovern, E. Caselli, N. Grigorieff, B. K. Shoichet, J. Med. Chem. 2002, 45, 1712-1722.
- (2002) J. Med. Chem , vol.45 , pp. 1712-1722
- McGovern, S.L.¹ Caselli, E.² Grigorieff, N.³ Shoichet, B.K.⁴

23
- 0037011890
- O. Roche, P. Schneider, J. Zuegge, W. Guba, M. Kansy, A. Alanine, K. Bleicher, F. Danel, E. M. Gutknecht, M. Rogers-Evans, W. Neidhart, H. Stalder, M. Dillon, E. Sjogren, N. Fotouhi, P. Gillespie, R. Goodnow, W. Harris, P. Jones, M. Taniguchi, S. Tsujii, W. von der Saal, G. Zimmermann, G. Schneider, J. Med. Chem. 2002, 45, 137-142.
- (2002) J. Med. Chem , vol.45 , pp. 137-142
- Roche, O.¹ Schneider, P.² Zuegge, J.³ Guba, W.⁴ Kansy, M.⁵ Alanine, A.⁶ Bleicher, K.⁷ Danel, F.⁸ Gutknecht, E.M.⁹ Rogers-Evans, M.¹⁰ Neidhart, W.¹¹ Stalder, H.¹² Dillon, M.¹³ Sjogren, E.¹⁴ Fotouhi, N.¹⁵ Gillespie, P.¹⁶ Goodnow, R.¹⁷ Harris, W.¹⁸ Jones, P.¹⁹ Taniguchi, M.²⁰ more..

24
- 15044349115
- P. Csermely, V. Agoston, S. Pongor, Trends Pharmacol. Sci. 2005, 26, 178-182.
- (2005) Trends Pharmacol. Sci , vol.26 , pp. 178-182
- Csermely, P.¹ Agoston, V.² Pongor, S.³

25
- 27144449695
- R. Morphy, Z. Rankovic, J. Med. Chem. 2005, 48, 6523-6543.
- (2005) J. Med. Chem , vol.48 , pp. 6523-6543
- Morphy, R.¹ Rankovic, Z.²

26
- 33746088604
- J. Hamon, K. Azzaoui, S. Whitebread, L. Urban, E. Jacoby, B. Faller, Eur. Pharm. Rev. 2006, 11, 60-63.
- (2006) Eur. Pharm. Rev , vol.11 , pp. 60-63
- Hamon, J.¹ Azzaoui, K.² Whitebread, S.³ Urban, L.⁴ Jacoby, E.⁵ Faller, B.⁶

27
- 0038743107
- R. A. Pearlstein, R. J. Vaz, J. S. Kang, X. L. Chen, M. Preobrazhenskaya, A. E. Shchekotikhin, A. M. Korolev, L. N. Lysenkova, O. V. Miroshnikova, J. Hendrix, D. Rampe, Bioorg. Med. Chem. Lett. 2003, 13, 1829-1835.
- (2003) Bioorg. Med. Chem. Lett , vol.13 , pp. 1829-1835
- Pearlstein, R.A.¹ Vaz, R.J.² Kang, J.S.³ Chen, X.L.⁴ Preobrazhenskaya, M.⁵ Shchekotikhin, A.E.⁶ Korolev, A.M.⁷ Lysenkova, L.N.⁸ Miroshnikova, O.V.⁹ Hendrix, J.¹⁰ Rampe, D.¹¹

28
- 0036686784
- J. Zuegge, U. Fechner, O. Roche, N. J. Parrott, O. Engkvist, G. Schneider, QSAR Comb. Sci. 2002, 21, 249-256.
- (2002) QSAR Comb. Sci , vol.21 , pp. 249-256
- Zuegge, J.¹ Fechner, U.² Roche, O.³ Parrott, N.J.⁴ Engkvist, O.⁵ Schneider, G.⁶

29
- 21044451732
- T. Klabunde, A. Evers, ChemBioChem 2005, 6, 876-889.
- (2005) ChemBioChem , vol.6 , pp. 876-889
- Klabunde, T.¹ Evers, A.²

30
- 0141776531
- J. Shimada, S. Ekins, C. Elkin, E. I. Shakhnovich, J.-P. Wery, Targets 2002, 1, 196-205.
- (2002) Targets , vol.1 , pp. 196-205
- Shimada, J.¹ Ekins, S.² Elkin, C.³ Shakhnovich, E.I.⁴ Wery, J.-P.⁵

31
- 0036720460
- W. M. Rockey, A. H. Elcock, Proteins Struct. Funct. Bioinf. 2002, 48, 664-671.
- (2002) Proteins Struct. Funct. Bioinf , vol.48 , pp. 664-671
- Rockey, W.M.¹ Elcock, A.H.²

32
- 0043031339
- C. M. Krejsa, D. Horvath, S. L. Rogalski, J. E. Penzotti, B. Mao, F. Barbosa, J. C. Migeon, Curr. Opin. Drug Discovery Dev. 2003, 6, 470-480.
- (2003) Curr. Opin. Drug Discovery Dev , vol.6 , pp. 470-480
- Krejsa, C.M.¹ Horvath, D.² Rogalski, S.L.³ Penzotti, J.E.⁴ Mao, B.⁵ Barbosa, F.⁶ Migeon, J.C.⁷

33
- 27444447278
- A. F. Fliri, W. T. Loging, P. F. Thadeio, R. A. Volkmann, J. Med. Chem. 2005, 48, 6918-6925.
- (2005) J. Med. Chem , vol.48 , pp. 6918-6925
- Fliri, A.F.¹ Loging, W.T.² Thadeio, P.F.³ Volkmann, R.A.⁴

34
- 32344440237
- A. F. Fliri, W. T. Loging, P. F. Thadeio, R. A. Volkmann, Nat. Chem. Biol. 2005, 1, 389-397.
- (2005) Nat. Chem. Biol , vol.1 , pp. 389-397
- Fliri, A.F.¹ Loging, W.T.² Thadeio, P.F.³ Volkmann, R.A.⁴

35
- 30744463522
- D. E. Johnson, A. D. Rodgers, Curr. Opin. Drug Discovery Dev. 2006, 9, 29-37.
- (2006) Curr. Opin. Drug Discovery Dev , vol.9 , pp. 29-37
- Johnson, D.E.¹ Rodgers, A.D.²

36
- 0037424632
- T. W. Schultz, M. T. D. Cronin, J. D. Walker, A. O. Aptula, J. Mol. Struct. (Theochem) 2003, 622, 1-22.
- (2003) J. Mol. Struct. (Theochem) , vol.622 , pp. 1-22
- Schultz, T.W.¹ Cronin, M.T.D.² Walker, J.D.³ Aptula, A.O.⁴

37
- 54849420868
- WOrld of Molecular BioAcTivity WOMBAT, available from Sunset Molecular Discovery LLC
- WOrld of Molecular BioAcTivity (WOMBAT), available from Sunset Molecular Discovery LLC, http://www.sunsetmolecular.com/.

38
- 10344230435
- A. Bender, R. C. Glen, Org. Biomol. Chem. 2004, 2, 3204-3218.
- (2004) Org. Biomol. Chem , vol.2 , pp. 3204-3218
- Bender, A.¹ Glen, R.C.²

39
- 33745391215
- Nidhi, M. Glick, J. W. Davies, J. L. Jenkins, J. Chem. Inf. Model. 2006, 46, 1124-1133.
- (2006) J. Chem. Inf. Model , vol.46 , pp. 1124-1133
- Nidhi, M.¹ Glick, J.W.² Davies, J.L.J.³

40
- 33750994920
- J. H. Nettles, J. L. Jenkins, A. Bender, Z. Deng, J. W. Davies, M. Glick, J. Med. Chem. 2006, 49, 6802-6810.
- (2006) J. Med. Chem , vol.49 , pp. 6802-6810
- Nettles, J.H.¹ Jenkins, J.L.² Bender, A.³ Deng, Z.⁴ Davies, J.W.⁵ Glick, M.⁶

41
- 33846518797
- J. L. Jenkins, A. Bender, J. W. Davies, Drug Discovery Today Technol. 2006, 3, 413-421.
- (2006) Drug Discovery Today Technol , vol.3 , pp. 413-421
- Jenkins, J.L.¹ Bender, A.² Davies, J.W.³

42
- 54849417948
- http://www.netdoctor.co.uk.

43
- 30744431644
- D. A. Smith, E. F. Schmid, Curr. Opin. Drug Discov. Devel. 2006, 9, 38-46.
- (2006) Curr. Opin. Drug Discov. Devel , vol.9 , pp. 38-46
- Smith, D.A.¹ Schmid, E.F.²

44
- 0026045864
- B. Bromm, I. Rundshagen, E. Scharein, Arzneim.-Forsch. 1991, 41, 1123-1129.
- (1991) Arzneim.-Forsch , vol.41 , pp. 1123-1129
- Bromm, B.¹ Rundshagen, I.² Scharein, E.³

45
- 33644748720
- L. Ibanez, X. Vidal, L. Vendrell, U. Moretti, J. R. Laporte, Aliment. Pharmacol. Ther. 2006, 23, 235-242.
- (2006) Aliment. Pharmacol. Ther , vol.23 , pp. 235-242
- Ibanez, L.¹ Vidal, X.² Vendrell, L.³ Moretti, U.⁴ Laporte, J.R.⁵

46
- 33748493561
- S. Preyer, J. Meyer, HNO 2006, 54, 670-676.
- (2006) HNO , vol.54 , pp. 670-676
- Preyer, S.¹ Meyer, J.²

47
- 0021148177
- E. L. Tolman, M. E. Rosenthale, R. J. Capetola, J. L. McGuire, Clin. Rheum. Dis. 1984, 10, 353-368.
- (1984) Clin. Rheum. Dis , vol.10 , pp. 353-368
- Tolman, E.L.¹ Rosenthale, M.E.² Capetola, R.J.³ McGuire, J.L.⁴

48
- 0038170311
- A. Schuffenhauer, P. Floersheim, P. Acklin, E. Jacoby, J. Chem. Inf. Comput. Sci. 2003, 43, 391-405.
- (2003) J. Chem. Inf. Comput. Sci , vol.43 , pp. 391-405
- Schuffenhauer, A.¹ Floersheim, P.² Acklin, P.³ Jacoby, E.⁴

49
- 0036010766
- R. Leurs, M. K. Church, M. Taglialatela, Clin. Exp. Allergy 2002, 32, 489-498.
- (2002) Clin. Exp. Allergy , vol.32 , pp. 489-498
- Leurs, R.¹ Church, M.K.² Taglialatela, M.³

50
- 33750986884
- A. Bender, J. L. Jenkins, M. Glick, Z. Deng, J. H. Nettles, J. W. Davies, J. Chem. Inf. Model. 2006, 46, 2445-2456.
- (2006) J. Chem. Inf. Model , vol.46 , pp. 2445-2456
- Bender, A.¹ Jenkins, J.L.² Glick, M.³ Deng, Z.⁴ Nettles, J.H.⁵ Davies, J.W.⁶

51
- 33646851193
- A. D. Furlan, J. A. Sandoval, A. Mailis-Gagnon, E. Tunks, Can. Med. Assoc. J. 2006, 174, 1589-1594.
- (2006) Can. Med. Assoc. J , vol.174 , pp. 1589-1594
- Furlan, A.D.¹ Sandoval, J.A.² Mailis-Gagnon, A.³ Tunks, E.⁴

52
- 0002946816
- K. J. Broadley, D. R. Kelly, Molecules 2001, 6, 142-193.
- (2001) Molecules , vol.6 , pp. 142-193
- Broadley, K.J.¹ Kelly, D.R.²

53
- 4143107932
- D. L. Simmons, R. M. Botting, T. Hla, Pharmacol. Rev. 2004, 56, 387-437.
- (2004) Pharmacol. Rev , vol.56 , pp. 387-437
- Simmons, D.L.¹ Botting, R.M.² Hla, T.³

54
- 1642482293
- Z. Warzecha, A. Dembinski, P. Ceranowicz, S. J. Konturek, R. Tomaszewska, J. Stachura, T. Nakamura, P. C. Konturek, Eur. J. Pharmacol. 2004, 486, 107-119.
- (2004) Eur. J. Pharmacol , vol.486 , pp. 107-119
- Warzecha, Z.¹ Dembinski, A.² Ceranowicz, P.³ Konturek, S.J.⁴ Tomaszewska, R.⁵ Stachura, J.⁶ Nakamura, T.⁷ Konturek, P.C.⁸

55
- 0038678580
- D. Thomas, K. Wu, S. Kathofer, H. A. Katus, W. Schoels, J. Kiehn, C. A. Karle, Br. J. Pharmacol. 2003, 139, 567-574.
- (2003) Br. J. Pharmacol , vol.139 , pp. 567-574
- Thomas, D.¹ Wu, K.² Kathofer, S.³ Katus, H.A.⁴ Schoels, W.⁵ Kiehn, J.⁶ Karle, C.A.⁷

56
- 33644961372
- M. Sala, F. Coppa, C. Cappucciati, P. Brambilla, G. d'Allio, E. Caverzasi, F. Barale, G. M. De Ferrari, Curr. Opin. Invest. Drugs 2006, 7, 256-263.
- (2006) Curr. Opin. Invest. Drugs , vol.7 , pp. 256-263
- Sala, M.¹ Coppa, F.² Cappucciati, C.³ Brambilla, P.⁴ d'Allio, G.⁵ Caverzasi, E.⁶ Barale, F.⁷ De Ferrari, G.M.⁸

57
- 54849403688
- C. M. Finzi, G. Bazzanini, A. M. Tomasi, Minerva Med. 1964, 55, 698-701.
- (1964) Minerva Med , vol.55 , pp. 698-701
- Finzi, C.M.¹ Bazzanini, G.² Tomasi, A.M.³

58
- 54849433963
- PipelinePilot 5.1, available from Scitegic. http://www.scitegic.com/.
- PipelinePilot 5.1, available from Scitegic. http://www.scitegic.com/.

59
- 33644963750
- R. C. Glen, A. Bender, C. H. Arnby, L. Carlsson, S. Boyer, J. Smith, IDrugs 2006, 9, 199-204.
- (2006) IDrugs , vol.9 , pp. 199-204
- Glen, R.C.¹ Bender, A.² Arnby, C.H.³ Carlsson, L.⁴ Boyer, S.⁵ Smith, J.⁶

60
- 5544290537
- A. Bender, H. Y. Mussa, R. C. Glen, S. Reiling, J. Chem. Inf. Comput. Sci. 2004, 44, 1708-1718.
- (2004) J. Chem. Inf. Comput. Sci , vol.44 , pp. 1708-1718
- Bender, A.¹ Mussa, H.Y.² Glen, R.C.³ Reiling, S.⁴

61
- 54849404251
- Spotfire 8.0. http://www.spotfire.com.
- Spotfire 8.0. http://www.spotfire.com.

62
- 33746156959
- G. V. Paolini, R. H. Shapland, W. P. van Hoorn, J. S. Mason, A. L. Hopkins, Nat. Biotechnol. 2006, 24, 805-815.
- (2006) Nat. Biotechnol , vol.24 , pp. 805-815
- Paolini, G.V.¹ Shapland, R.H.² van Hoorn, W.P.³ Mason, J.S.⁴ Hopkins, A.L.⁵

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.