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Journal of Computer-Aided Molecular Design

Volumn 20, Issue 7-8, 2006, Pages 529-538

Balancing focused combinatorial libraries based on multiple GPCR ligands

(4) Soltanshahi, Farhad a Mansley, Tamsin E a Choi, Sun a,b Clark, Robert D a

a TRIPOS INC (United States)

b Ewha Womans University (South Korea)

Author keywords

ChemSpace; Combinatorial library; Library design; Multi objective scoring; OptDesign; Pareto ranking

Indexed keywords

BIOCHIPS; DESIGN; LIBRARIES;

CHEMSPACE; COMBINATORIAL LIBRARY; DRUG DISCOVERY; G PROTEIN COUPLED RECEPTORS; LIBRARY DESIGNS; MULTI OBJECTIVE; MULTI-OBJECTIVE SCORING; OPTDESIGN; PARETO RANKING; RECEPTOR LIGANDS;

LIGANDS;

5 (4 FLUOROBENZAMIDO) 3 (1 METHYL 4 PIPERIDINYL) 1H INDOLE FUMARATE; CHEMOKINE RECEPTOR ANTAGONIST; G PROTEIN COUPLED RECEPTOR; SEROTONIN AGONIST;

ARTICLE; COMBINATORIAL CHEMISTRY; COMBINATORIAL LIBRARY; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG DESIGN; DRUG IDENTIFICATION; DRUG RESEARCH; DRUG STRUCTURE; DRUG SYNTHESIS; DRUG TARGETING; PRIORITY JOURNAL; PROTEIN STRUCTURE; SCORING SYSTEM;

EID: 34249002721 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-006-9076-9 Document Type: Article

Times cited : (8)

References (35)

1
- 33845890639
- Filmore D (2004) Mod Drug Discov 11:24
- (2004) Mod Drug Discov , vol.11 , pp. 24
- Filmore, D.¹

2
- 0034604451
- Palczewski K, Kumasaka T, Hori T, Behnke CA, Motoshima H, Fox BA, Le Trong I, Teller DC, Okada T, Stenkamp RE, Yamamoto M, Miyano M (2000) Science 289:739
- (2000) Science , vol.289 , pp. 739
- Palczewski, K.¹ Kumasaka, T.² Hori, T.³ Behnke, C.A.⁴ Motoshima, H.⁵ Fox, B.A.⁶ Le Trong, I.⁷ Teller, D.C.⁸ Okada, T.⁹ Stenkamp, R.E.¹⁰ Yamamoto, M.¹¹ Miyano, M.¹²

3
- 20144385151
- Krier M, de Araújo-Júnior JX, Schmitt M, Duranton J, Justiano-Basaran H, Lugnier C., Bouruignon J-J, Rognan D (2005) J Med Chem 48:3816
- (2005) J Med Chem , vol.48 , pp. 3816
- Krier, M.¹ de Araújo-Júnior, J.X.² Schmitt, M.³ Duranton, J.⁴ Justiano-Basaran, H.⁵ Lugnier, C.⁶ Bouruignon, J.-J.⁷ Rognan, D.⁸

4
- 37949026250
- OptDesign® is distributed by Tripos, Inc. S. Hanley Road, St. Louis, MO 63144, USA
- OptDesign® is distributed by Tripos, Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA (http://www.tripos.com)
- (1699)

5
- 0034240561
- Clark RD, Patterson DE, Soltanshahi F, Blake JF, Matthew JB (2000) J Mol Graph Model 18:404
- (2000) J Mol Graph Model , vol.18 , pp. 404
- Clark, R.D.¹ Patterson, D.E.² Soltanshahi, F.³ Blake, J.F.⁴ Matthew, J.B.⁵

6
- 0000684663
- Clark RD (1997) J Chem Inf Comput Sci 37:1181
- (1997) J Chem Inf Comput Sci , vol.37 , pp. 1181
- Clark, R.D.¹

7
- 0000493839
- Clark RD, Langton WJ (1998) J Chem Inf Comput Sci 38:1079
- (1998) J Chem Inf Comput Sci , vol.38 , pp. 1079
- Clark, R.D.¹ Langton, W.J.²

8
- 37949054874
- US Patent No. 6,535,819 OptiSim™ is licensed by Tripos, Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA
- Clark RD, US Patent No. 6,535,819 (2003) OptiSim™ is licensed by Tripos, Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA (http://www.tripos.com)
- (2003)
- Clark, R.D.¹

9
- 0038512041
- Clark RD, Kar J, Akella L, Soltanshahi F (2003) J Chem Inf Comput Sci 43:829
- (2003) J Chem Inf Comput Sci , vol.43 , pp. 829
- Clark, R.D.¹ Kar, J.² Akella, L.³ Soltanshahi, F.⁴

10
- 0036010698
- Gillet VJ, Willett P, Fleming PJ, Green DVS (2002) J Mol Graph Model 20:491
- (2002) J Mol Graph Model , vol.20 , pp. 491
- Gillet, V.J.¹ Willett, P.² Fleming, P.J.³ Green, D.V.S.⁴

11
- 0029783934
- Patterson DE, Cramer RD, Ferguson AM, Clark RD, Weinberger LE (1996) J Med Chem 39:3049
- (1996) J Med Chem , vol.39 , pp. 3049
- Patterson, D.E.¹ Cramer, R.D.² Ferguson, A.M.³ Clark, R.D.⁴ Weinberger, L.E.⁵

12
- 0033598416
- Cramer RD, Poss MA, Hermsmeier MA, Caulfield TJ, Kowala MC, Valentine MT (1999) J Med Chem 42:3919
- (1999) J Med Chem , vol.42 , pp. 3919
- Cramer, R.D.¹ Poss, M.A.² Hermsmeier, M.A.³ Caulfield, T.J.⁴ Kowala, M.C.⁵ Valentine, M.T.⁶

13
- 37949007242
- Pauwels PJ, 5-HT Receptors and Their Ligands, www.tocris.com
- 5-HT Receptors and Their Ligands
- Pauwels, P.J.¹

14
- 0034009295
- Horuk R, Ng HP, (2000) Med Res Rev 20:155
- (2000) Med Res Rev , vol.20 , pp. 155
- Horuk, R.¹ Ng, H.P.²

15
- 0033770435
- Lüttichau HR, Schwartz TW, (2000) Drug Discov Dev 3:610
- (2000) Drug Discov Dev , vol.3 , pp. 610
- Lüttichau, H.R.¹ Schwartz, T.W.²

16
- 0035002993
- Kaplan AP (2001) Int Arch Allergy Immunol 124:423
- (2001) Int Arch Allergy Immunol , vol.124 , pp. 423
- Kaplan, A.P.¹

17
- 0141787020
- Lainton JAH, Allen MC, Burton M, Cameron S, Edwards TRG, Harden G, Hogg R, Leung W, Miller S, Morrish JJ, Rooke SM, Wendt B (2003) J Comb Chem 5:400
- (2003) J Comb Chem , vol.5 , pp. 400
- Lainton, J.A.H.¹ Allen, M.C.² Burton, M.³ Cameron, S.⁴ Edwards, T.R.G.⁵ Harden, G.⁶ Hogg, R.⁷ Leung, W.⁸ Miller, S.⁹ Morrish, J.J.¹⁰ Rooke, S.M.¹¹ Wendt, B.¹²

18
- 37949002025
- ChemSpace® is licensed by Tripos, Inc. S. Hanley Road, St. Louis, MO 63144, USA Cramer, R.D. and Patterson, D.E., US Patent No. 6,240,374 (2001)
- ChemSpace® is licensed by Tripos, Inc., 1699 S. Hanley Road, St. Louis, MO 63144, USA (http://www.tripos.com); Cramer, R.D. and Patterson, D.E., US Patent No. 6,240,374 (2001)
- (1699)

19
- 0001252512
- Cramer RD, Patterson DE, Clark RD, Soltanshahi F, Lawless MS (1998) J Chem Inf Comp Sci 6:1010
- (1998) J Chem Inf Comp Sci , vol.6 , pp. 1010
- Cramer, R.D.¹ Patterson, D.E.² Clark, R.D.³ Soltanshahi, F.⁴ Lawless, M.S.⁵

20
- 0034035557
- Andrews KM, Cramer RD (2000) J Med Chem 43:1723
- (2000) J Med Chem , vol.43 , pp. 1723
- Andrews, K.M.¹ Cramer, R.D.²

21
- 11144222535
- Cramer RD, Jilek RJ, Guessregen S, Clark SJ, Wendt B, Clark RD (2004) J Med Chem 47:6777
- (2004) J Med Chem , vol.47 , pp. 6777
- Cramer, R.D.¹ Jilek, R.J.² Guessregen, S.³ Clark, S.J.⁴ Wendt, B.⁵ Clark, R.D.⁶

22
- 37949045321
- Pomona CA
- ClogP is a product of BioByte Inc., Pomona CA
- ClogP Is a Product of BioByte Inc.

23
- 0003103467
- Lipinski CA, Lombardo F, Dominy BW, Feeney PJ (1997) Adv Drug Del Rev 23:4
- (1997) Adv Drug Del Rev , vol.23 , pp. 4
- Lipinski, C.A.¹ Lombardo, F.² Dominy, B.W.³ Feeney, P.J.⁴

24
- 0343869724
- Ash S, Cline MA, Homer RW, Hurst T, Smith GB (1997) J Chem Inf Comput Sci 37:71
- (1997) J Chem Inf Comput Sci , vol.37 , pp. 71
- Ash, S.¹ Cline, M.A.² Homer, R.W.³ Hurst, T.⁴ Smith, G.B.⁵

25
- 37949004639
- Integer arithmetic is used, so 50% of 3 is 2
- Integer arithmetic is used, so 50% of 3 is 2

26
- 0034494240
- Waly MA (2000) Boll Chim Farm 139:217
- (2000) Boll Chim Farm , vol.139 , pp. 217
- Waly, M.A.¹

27
- 0035935671
- Xu Y-C, Johnson KW, Phebus LA, Cohen M, Nelson DL, Schenck K, Walker CD, Fritz JE, Kaldor SW, Le Tourneau ME, Murff RE, Zgombick JM, Calligaro DO, Audia JE, Schaus JM (2001) J Med Chem 44:4031
- (2001) J Med Chem , vol.44 , pp. 4031
- Xu, Y.-C.¹ Johnson, K.W.² Phebus, L.A.³ Cohen, M.⁴ Nelson, D.L.⁵ Schenck, K.⁶ Walker, C.D.⁷ Fritz, J.E.⁸ Kaldor, S.W.⁹ Le Tourneau, M.E.¹⁰ Murff, R.E.¹¹ Zgombick, J.M.¹² Calligaro, D.O.¹³ Audia, J.E.¹⁴ Schaus, J.M.¹⁵

28
- 37949006322
- Internatl
- Patent No. WO9815545
- Fritz JE, Kaldor SW, Liang SX, Singh U, Xu Y-C (1998) Internatl. Patent No. WO9815545
- (1998)
- Fritz, J.E.¹ Kaldor, S.W.² Liang, S.X.³ Singh, U.⁴ Xu, Y.-C.⁵

29
- 27144503431
- Roland C, Gozalbes R, Nicolai E, Paugam M-F, Coussy L, Barbosa F, Horvath D, Revah F (2005) J Med Chem 48:6563
- (2005) J Med Chem , vol.48 , pp. 6563
- Roland, C.¹ Gozalbes, R.² Nicolai, E.³ Paugam, M.-F.⁴ Coussy, L.⁵ Barbosa, F.⁶ Horvath, D.⁷ Revah, F.⁸

30
- 37948998552
- Internatl
- Patent No.WO03105853
- Pennell AMK, Aggen JB, Wright JJK, Sen S, McMaster BE, Dairaghi DJ (2003) Internatl. Patent No.WO03105853
- (2003)
- Pennell, A.M.K.¹ Aggen, J.B.² Wright, J.J.K.³ Sen, S.⁴ McMaster, B.E.⁵ Dairaghi, D.J.⁶

31
- 37949050721
- Internatl
- Patent No. WO9856771
- Bauman JG, Buckman BO, Ghanam AF, Hesselgesser JE, Horuk R, Islam I, Liang M, May KB, Monahan SD, Morissey MM, Ng HP, Wei GP, Xu W, Zheng W (1998) Internatl. Patent No. WO9856771
- (1998)
- Bauman, J.G.¹ Buckman, B.O.² Ghanam, A.F.³ Hesselgesser, J.E.⁴ Horuk, R.⁵ Islam, I.⁶ Liang, M.⁷ May, K.B.⁸ Monahan, S.D.⁹ Morissey, M.M.¹⁰ Ng, H.P.¹¹ Wei, G.P.¹² Xu, W.¹³ Zheng, W.¹⁴

32
- 37949046134
- Internatl
- Patent No. WO05080362
- Wellner E, Sandin H (2005) Internatl. Patent No. WO05080362
- (2005)
- Wellner, E.¹ Sandin, H.²

33
- 37949030446
- Internatl
- Patent No. WO03105857
- McMaster B (2003) Internatl. Patent No. WO03105857
- (2003)
- McMaster, B.¹

34
- 4143071585
- Sprous DG, Lowis DR, Leonard JM, Heritage T, Burkett SN, Baker DS, Clark RD (2004) J Comb Chem 6:530
- (2004) J Comb Chem , vol.6 , pp. 530
- Sprous, D.G.¹ Lowis, D.R.² Leonard, J.M.³ Heritage, T.⁴ Burkett, S.N.⁵ Baker, D.S.⁶ Clark, R.D.⁷

35
- 37949020446
- LeadDiscovery™ screening libraries are distributed by Tripos, Inc., 1699 S. Hanley Rd., St. Louis, MO 63144, USA
- LeadDiscovery™ screening libraries are distributed by Tripos, Inc., 1699 S. Hanley Rd., St. Louis, MO 63144, USA (http://www.tripos.com)

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