SCOPUS 정보 검색 플랫폼

Volumn 8, Issue 12, 2013, Pages 2057-2069

Design and generation of highly diverse fluorinated fragment libraries and their efficient screening with improved 19F NMR methodology

(2) Vulpetti, Anna a Dalvit, Claudio b

a NOVARTIS PHARMA AG (Switzerland)

b UNIVERSITY OF NEUCHÂTEL (Switzerland)

Author keywords

fluorinated fragments; fluorine NMR spectroscopy; fragment based drug discovery; libraries; local environment of fluorine (LEF); screening

Indexed keywords

ATORVASTATIN; CARBON; CELECOXIB; EFAVIRENZ; ESCITALOPRAM; FLUORINE; FLUOXETINE; FLUTICASONE PROPIONATE PLUS SALMETEROL; LANSOPRAZOLE; PROTEIN; ROSUVASTATIN;

ARTHRITIS; ARTICLE; ASTHMA; BINDING AFFINITY; CHEMICAL STRUCTURE; DATA BASE; DEPRESSION; DRUG INDUSTRY; DRUG RESEARCH; DYSLIPIDEMIA; FLUORINATION; FLUORINE NUCLEAR MAGNETIC RESONANCE; HUMAN IMMUNODEFICIENCY VIRUS INFECTION; LIGAND BINDING; METHODOLOGY; MOLECULAR WEIGHT; MOLECULE; PRIORITY JOURNAL; PROTEIN DATA BANK; SCREENING; SYNTHESIS;

FLUORINATED FRAGMENTS; FLUORINE NMR SPECTROSCOPY; FRAGMENT-BASED DRUG DISCOVERY; LIBRARIES; LOCAL ENVIRONMENT OF FLUORINE (LEF); SCREENING;

DATABASES, CHEMICAL; DRUG DESIGN; FLUORIDATION; FLUORINE; MAGNETIC RESONANCE SPECTROSCOPY; SMALL MOLECULE LIBRARIES;

EID: 84889880731 PISSN: 18607179 EISSN: 18607187 Source Type: Journal
DOI: 10.1002/cmdc.201300351 Document Type: Article

Times cited : (49)

References (56)

1
- 49449097238
- W. K. Hagmann, J. Med. Chem. 2008, 51, 4359-4369.
- (2008) J. Med. Chem. , vol.51 , pp. 4359-4369
- Hagmann, W.K.¹

2
- 38149070200
- S. Purser, P. R. Moore, S. Swallow, V. Gouverneur, Chem. Soc. Rev. 2008, 37, 320-330.
- (2008) Chem. Soc. Rev. , vol.37 , pp. 320-330
- Purser, S.¹ Moore, P.R.² Swallow, S.³ Gouverneur, V.⁴

3
- 34848848499
- K. Müller, C. Faeh, F. Diederich, Science 2007, 317, 1881-1886.
- (2007) Science , vol.317 , pp. 1881-1886
- Müller, K.¹ Faeh, C.² Diederich, F.³

4
- 33746372978
- K. L. Kirk, J. Fluorine Chem. 2006, 127, 1013-1029.
- (2006) J. Fluorine Chem. , vol.127 , pp. 1013-1029
- Kirk, K.L.¹

5
- 17644386567
- W. R. Dolbier, J. Fluorine Chem. 2005, 126, 157-163.
- (2005) J. Fluorine Chem. , vol.126 , pp. 157-163
- Dolbier, W.R.¹

6
- 4444355871
- H. J. Böhm, D. Banner, S. Bendels, M. Kansy, B. Kuhn, K. Müller, U. Obst-Sander, M. Stahl, ChemBioChem 2004, 5, 637-643.
- (2004) ChemBioChem , vol.5 , pp. 637-643
- Böhm, H.J.¹ Banner, D.² Bendels, S.³ Kansy, M.⁴ Kuhn, B.⁵ Müller, K.⁶ Obst-Sander, U.⁷ Stahl, M.⁸

7
- 77958039726
- D. O'Hagan, J. Fluorine Chem. 2010, 131, 1071-1081.
- (2010) J. Fluorine Chem. , vol.131 , pp. 1071-1081
- O'Hagan, D.¹

8
- 0036893645
- C. Dalvit, M. Flocco, M. Veronesi, B. J. Stockman, Comb. Chem. High Throughput Screening 2002, 5, 605-611.
- (2002) Comb. Chem. High Throughput Screening , vol.5 , pp. 605-611
- Dalvit, C.¹ Flocco, M.² Veronesi, M.³ Stockman, B.J.⁴

9
- 3142544161
- C. Dalvit, E. Ardini, G. P. Fogliatto, N. Mongelli, M. Veronesi, Drug Discovery Today 2004, 9, 595-602.
- (2004) Drug Discovery Today , vol.9 , pp. 595-602
- Dalvit, C.¹ Ardini, E.² Fogliatto, G.P.³ Mongelli, N.⁴ Veronesi, M.⁵

10
- 1642296510
- T. Tengel, T. Fex, H. Emtenas, F. Almqvist, I. Sethson, J. Kihlberg, Org. Biomol. Chem. 2004, 2, 725-731.
- (2004) Org. Biomol. Chem. , vol.2 , pp. 725-731
- Tengel, T.¹ Fex, T.² Emtenas, H.³ Almqvist, F.⁴ Sethson, I.⁵ Kihlberg, J.⁶

11
- 34047156546
- L. Poppe, T. S. Harvey, C. Mohr, J. Zondlo, C. M. Tegley, O. Nuanmanee, J. Cheetham, J. Biomol. Screening 2007, 12, 301-311.
- (2007) J. Biomol. Screening , vol.12 , pp. 301-311
- Poppe, L.¹ Harvey, T.S.² Mohr, C.³ Zondlo, J.⁴ Tegley, C.M.⁵ Nuanmanee, O.⁶ Cheetham, J.⁷

12
- 70349124638
- A. Vulpetti, U. Hommel, G. Landrum, R. Lewis, C. Dalvit, J. Am. Chem. Soc. 2009, 131, 12949-12959.
- (2009) J. Am. Chem. Soc. , vol.131 , pp. 12949-12959
- Vulpetti, A.¹ Hommel, U.² Landrum, G.³ Lewis, R.⁴ Dalvit, C.⁵

13
- 84864633171
- A. Vulpetti, C. Dalvit, Drug Discovery Today 2012, 17, 890-897.
- (2012) Drug Discovery Today , vol.17 , pp. 890-897
- Vulpetti, A.¹ Dalvit, C.²

14
- 84863052839
- J. B. Jordan, L. Poppe, X. Y. Xia, A. C. Cheng, Y. Sun, K. Michelsen, H. Eastwood, P. D. Schnier, T. Nixey, W. G. Zhong, J. Med. Chem. 2012, 55, 678-687.
- (2012) J. Med. Chem. , vol.55 , pp. 678-687
- Jordan, J.B.¹ Poppe, L.² Xia, X.Y.³ Cheng, A.C.⁴ Sun, Y.⁵ Michelsen, K.⁶ Eastwood, H.⁷ Schnier, P.D.⁸ Nixey, T.⁹ Zhong, W.G.¹⁰

15
- 36049036606
- C. Dalvit, Prog. Nucl. Magn. Reson. Spectrosc. 2007, 51, 243-271.
- (2007) Prog. Nucl. Magn. Reson. Spectrosc. , vol.51 , pp. 243-271
- Dalvit, C.¹

16
- 54949088263
- C. Dalvit, Concepts Magn. Reson. Part A 2008, 32A, 341-372.
- (2008) Concepts Magn. Reson. Part A , vol.32 A , pp. 341-372
- Dalvit, C.¹

17
- 70350422335
- C. Dalvit, Drug Discovery Today 2009, 14, 1051-1057.
- (2009) Drug Discovery Today , vol.14 , pp. 1051-1057
- Dalvit, C.¹

18
- 0038207989
- C. Dalvit, P. E. Fagerness, D. T. Hadden, R. W. Sarver, B. J. Stockman, J. Am. Chem. Soc. 2003, 125, 7696-7703.
- (2003) J. Am. Chem. Soc. , vol.125 , pp. 7696-7703
- Dalvit, C.¹ Fagerness, P.E.² Hadden, D.T.³ Sarver, R.W.⁴ Stockman, B.J.⁵

19
- 34248581436
- J. D. Taylor, P. J. Gilbert, M. A. Williams, W. R. Pitt, J. E. Ladbury, Proteins Struct. Funct. Bioinf. 2007, 67, 981-990.
- (2007) Proteins Struct. Funct. Bioinf. , vol.67 , pp. 981-990
- Taylor, J.D.¹ Gilbert, P.J.² Williams, M.A.³ Pitt, W.R.⁴ Ladbury, J.E.⁵

20
- 84859172058
- M. Braitsch, H. Kählig, G. Kontaxis, M. Fischer, T. Kawada, R. Konrat, W. Schmid, Beilstein J. Org. Chem. 2012, 8, 448-455.
- (2012) Beilstein J. Org. Chem. , vol.8 , pp. 448-455
- Braitsch, M.¹ Kählig, H.² Kontaxis, G.³ Fischer, M.⁴ Kawada, T.⁵ Konrat, R.⁶ Schmid, W.⁷

21
- 78650552642
- C. Dalvit, A. Vulpetti, ChemMedChem 2011, 6, 104-114.
- (2011) ChemMedChem , vol.6 , pp. 104-114
- Dalvit, C.¹ Vulpetti, A.²

22
- 84856382414
- C. Dalvit, A. Vulpetti, ChemMedChem 2012, 7, 262-272.
- (2012) ChemMedChem , vol.7 , pp. 262-272
- Dalvit, C.¹ Vulpetti, A.²

23
- 84885905320
- C. Dalvit, S. Y. Ko, A. Vulpetti, J. Fluorine Chem. 2013, 152, 129-135.
- (2013) J. Fluorine Chem. , vol.152 , pp. 129-135
- Dalvit, C.¹ Ko, S.Y.² Vulpetti, A.³

24
- 0033954256
- H. M. Berman, J. Westbrook, Z. Feng, G. Gilliland, T. N. Bhat, H. Weissig, I. N. Shindyalov, P. E. Bourne, Nucleic Acids Res. 2000, 28, 235-242.
- (2000) Nucleic Acids Res. , vol.28 , pp. 235-242
- Berman, H.M.¹ Westbrook, J.² Feng, Z.³ Gilliland, G.⁴ Bhat, T.N.⁵ Weissig, H.⁶ Shindyalov, I.N.⁷ Bourne, P.E.⁸

25
- 84862192766
- DD 1107
- A. Gaulton, L. J. Bellis, A. P. Bento, J. Chambers, M. Davies, A. Hersey, Y. Light, S. McGlinchey, D. Michalovich, B. Al-Lazikani, J. P. Overington, Nucleic Acids Res. 2012, 40, D 1100 -D 1107.
- (2012) Nucleic Acids Res. , vol.40 , pp. 1100
- Gaulton, A.¹ Bellis, L.J.² Bento, A.P.³ Chambers, J.⁴ Davies, M.⁵ Hersey, A.⁶ Light, Y.⁷ McGlinchey, S.⁸ Michalovich, D.⁹ Al-Lazikani, B.¹⁰ Overington, J.P.¹¹

26
- 78349294513
- A. Vulpetti, N. Schiering, C. Dalvit, Proteins Struct. Funct. Bioinf. 2010, 78, 3281-3291.
- (2010) Proteins Struct. Funct. Bioinf. , vol.78 , pp. 3281-3291
- Vulpetti, A.¹ Schiering, N.² Dalvit, C.³

27
- 84867807912
- Y. Lee, H. Zeng, S. Ruedisser, A. D. Gossert, C. Hilty, J. Am. Chem. Soc. 2012, 134, 17448-17451.
- (2012) J. Am. Chem. Soc. , vol.134 , pp. 17448-17451
- Lee, Y.¹ Zeng, H.² Ruedisser, S.³ Gossert, A.D.⁴ Hilty, C.⁵

28
- 84865472205
- C. Dalvit, A. Vulpetti, Magn. Reson. Chem. 2012, 50, 592-597.
- (2012) Magn. Reson. Chem. , vol.50 , pp. 592-597
- Dalvit, C.¹ Vulpetti, A.²

29
- 84890711200
- Wiley, Hoboken
- W. R. Dolbier, Jr., Guide to Fluorine NMR for Organic Chemists, Wiley, Hoboken, 2009.
- (2009) Guide to Fluorine NMR for Organic Chemists
- Dolbier, Jr.W.R.¹

30
- 52049090546
- K. M. Guckian, E. Y. S. Lin, L. Silvian, J. E. Friedman, D. Chin, D. M. Scott, Bioorg. Med. Chem. Lett. 2008, 18, 5249-5251.
- (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 5249-5251
- Guckian, K.M.¹ Lin, E.Y.S.² Silvian, L.³ Friedman, J.E.⁴ Chin, D.⁵ Scott, D.M.⁶

31
- 34548540174
- J. T. Welch, D. S. Lim, Bioorg. Med. Chem. 2007, 15, 6659-6666.
- (2007) Bioorg. Med. Chem. , vol.15 , pp. 6659-6666
- Welch, J.T.¹ Lim, D.S.²

32
- 68049099257
- W. R. Dolbier, Jr., Z. Zheng, J. Org. Chem. 2009, 74, 5626-5628.
- (2009) J. Org. Chem. , vol.74 , pp. 5626-5628
- Dolbier, Jr.W.R.¹ Zheng, Z.²

33
- 59649119617
- B. Stump, C. Eberle, W. B. Schweizer, M. Kaiser, R. Brun, R. L. Krauth-Siegel, D. Lentz, F. Diederich, ChemBioChem 2009, 10, 79-83.
- (2009) ChemBioChem , vol.10 , pp. 79-83
- Stump, B.¹ Eberle, C.² Schweizer, W.B.³ Kaiser, M.⁴ Brun, R.⁵ Krauth-Siegel, R.L.⁶ Lentz, D.⁷ Diederich, F.⁸

34
- 18744366634
- F. Palacios, C. Alonso, M. Rodriguez, E. M. de Marigorta, G. Rubiales, Eur. J. Org. Chem. 2005, 1795-1804.
- (2005) Eur. J. Org. Chem. , pp. 1795-1804
- Palacios, F.¹ Alonso, C.² Rodriguez, M.³ De Marigorta, E.M.⁴ Rubiales, G.⁵

35
- 84876566042
- C. Alonso, M. Gonzalez, M. Fuertes, G. Rubiales, J. M. Ezpeleta, F. Palacios, J. Org. Chem. 2013, 78, 3858-3866.
- (2013) J. Org. Chem. , vol.78 , pp. 3858-3866
- Alonso, C.¹ Gonzalez, M.² Fuertes, M.³ Rubiales, G.⁴ Ezpeleta, J.M.⁵ Palacios, F.⁶

36
- 0034600286
- F. B. Mallory, C. W. Mallory, K. E. Butler, M. B. Lewis, A. Q. Xia, E. D. Luzik, L. E. Fredenburgh, M. M. Ramanjulu, Q. N. Van, M. M. Francl, D. A. Freed, C. C. Wray, C. Hann, M. Nerz-Stormes, P. J. Carroll, L. E. Chirlian, J. Am. Chem. Soc. 2000, 122, 4108-4116.
- (2000) J. Am. Chem. Soc. , vol.122 , pp. 4108-4116
- Mallory, F.B.¹ Mallory, C.W.² Butler, K.E.³ Lewis, M.B.⁴ Xia, A.Q.⁵ Luzik, E.D.⁶ Fredenburgh, L.E.⁷ Ramanjulu, M.M.⁸ Van, Q.N.⁹ Francl, M.M.¹⁰ Freed, D.A.¹¹ Wray, C.C.¹² Hann, C.¹³ Nerz-Stormes, M.¹⁴ Carroll, P.J.¹⁵ Chirlian, L.E.¹⁶

37
- 3543142588
- I. Alkorta, J. Elguero, Struct. Chem. 2004, 15, 117-120.
- (2004) Struct. Chem. , vol.15 , pp. 117-120
- Alkorta, I.¹ Elguero, J.²

38
- 77952223677
- N. Kichik, T. Tarrago, E. Giralt, ChemBioChem 2010, 11, 1115-1119.
- (2010) ChemBioChem , vol.11 , pp. 1115-1119
- Kichik, N.¹ Tarrago, T.² Giralt, E.³

39
- 33646782270
- T. Tarragõ, S. Frutos, R. A. Rodriguez-Mias, E. Giralt, ChemBioChem 2006, 7, 827-833.
- (2006) ChemBioChem , vol.7 , pp. 827-833
- Tarragõ, T.¹ Frutos, S.² Rodriguez-Mias, R.A.³ Giralt, E.⁴

40
- 84874353612
- C. Ballatore, D. M. Huryn, A. B. Smith, ChemMedChem 2013, 8, 385-395.
- (2013) ChemMedChem , vol.8 , pp. 385-395
- Ballatore, C.¹ Huryn, D.M.² Smith, A.B.³

41
- 84872256008
- B. A. Shainyan, L. L. Tolstikova, Chem. Rev. 2013, 113, 699-733.
- (2013) Chem. Rev. , vol.113 , pp. 699-733
- Shainyan, B.A.¹ Tolstikova, L.L.²

42
- 0001170341
- J. R. Gandler, W. P. Jencks, J. Am. Chem. Soc. 1982, 104, 1937-1951.
- (1982) J. Am. Chem. Soc. , vol.104 , pp. 1937-1951
- Gandler, J.R.¹ Jencks, W.P.²

43
- 33747827255
- C. Dalvit, D. Caronni, N. Mongelli, M. Veronesi, A. Vulpetti, Curr. Drug Discovery Technol. 2006, 3, 115-124.
- (2006) Curr. Drug Discovery Technol. , vol.3 , pp. 115-124
- Dalvit, C.¹ Caronni, D.² Mongelli, N.³ Veronesi, M.⁴ Vulpetti, A.⁵

44
- 0033789206
- C. Dalvit, P. Pevarello, M. Tato, M. Veronesi, A. Vulpetti, M. Sundström, J. Biomol. NMR 2000, 18, 65-68.
- (2000) J. Biomol. NMR , vol.18 , pp. 65-68
- Dalvit, C.¹ Pevarello, P.² Tato, M.³ Veronesi, M.⁴ Vulpetti, A.⁵ Sundström, M.⁶

45
- 77950593801
- A. Vulpetti, G. Landrum, S. Rüdisser, P. Erbel, C. Dalvit, J. Fluorine Chem. 2010, 131, 570-577.
- (2010) J. Fluorine Chem. , vol.131 , pp. 570-577
- Vulpetti, A.¹ Landrum, G.² Rüdisser, S.³ Erbel, P.⁴ Dalvit, C.⁵

46
- 79953179022
- C. Dalvit, A. D. Gossert, J. Coutant, M. Piotto, Magn. Reson. Chem. 2011, 49, 199-202.
- (2011) Magn. Reson. Chem. , vol.49 , pp. 199-202
- Dalvit, C.¹ Gossert, A.D.² Coutant, J.³ Piotto, M.⁴

47
- 48749147783
- A. J. Shaka, J. Keeler, T. Frenkiel, R. Freeman, J. Magn. Reson. 1983, 52, 335-338.
- (1983) J. Magn. Reson. , vol.52 , pp. 335-338
- Shaka, A.J.¹ Keeler, J.² Frenkiel, T.³ Freeman, R.⁴

48
- 33847534249
- H. Y. Carr, E. M. Purcell, Phys. Rev. 1954, 94, 630-638.
- (1954) Phys. Rev. , vol.94 , pp. 630-638
- Carr, H.Y.¹ Purcell, E.M.²

49
- 0002899752
- S. Meiboom, D. Gill, Rev. Sci. Instrum. 1958, 29, 688-691.
- (1958) Rev. Sci. Instrum. , vol.29 , pp. 688-691
- Meiboom, S.¹ Gill, D.²

50
- 0035743664
- N. Esturau, F. Sanchez-Ferrando, J. A. Gavin, C. Roumestand, M. A. Delsuc, T. Parella, J. Magn. Reson. 2001, 153, 48-55.
- (2001) J. Magn. Reson. , vol.153 , pp. 48-55
- Esturau, N.¹ Sanchez-Ferrando, F.² Gavin, J.A.³ Roumestand, C.⁴ Delsuc, M.A.⁵ Parella, T.⁶

51
- 0002077129
- J. Lounila, K. Oikarinen, P. Ingman, J. Jokisaari, J. Magn. Reson. Ser. A 1996, 118, 50-54.
- (1996) J. Magn. Reson. Ser. A , vol.118 , pp. 50-54
- Lounila, J.¹ Oikarinen, K.² Ingman, P.³ Jokisaari, J.⁴

52
- 43949169575
- J. M. Böhlen, G. Bodenhausen, J. Magn. Reson. Ser. A 1993, 102, 293-301.
- (1993) J. Magn. Reson. Ser. A , vol.102 , pp. 293-301
- Böhlen, J.M.¹ Bodenhausen, G.²

53
- 0000886363
- J. M. Bohlen, M. Rey, G. Bodenhausen, J. Magn. Reson. 1989, 84, 191-197.
- (1989) J. Magn. Reson. , vol.84 , pp. 191-197
- Bohlen, J.M.¹ Rey, M.² Bodenhausen, G.³

54
- 0030631673
- T. L. Hwang, P. C. M. van Zijl, M. Garwood, J. Magn. Reson. 1997, 124, 250-254.
- (1997) J. Magn. Reson. , vol.124 , pp. 250-254
- Hwang, T.L.¹ Van Zijl, P.C.M.² Garwood, M.³

55
- 0032058905
- X. Q. Lewell, D. B. Judd, S. P. Watson, M. M. Hann, J. Chem. Inf. Comput. Sci. 1998, 38, 511-522.
- (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 511-522
- Lewell, X.Q.¹ Judd, D.B.² Watson, S.P.³ Hann, M.M.⁴

56
- 33846871027
- A. Schuffenhauer, P. Ertl, S. Roggo, S. Wetzel, M. A. Koch, H. Waldmann, J. Chem. Info. Model. 2007, 47, 47-58.
- (2007) J. Chem. Info. Model. , vol.47 , pp. 47-58
- Schuffenhauer, A.¹ Ertl, P.² Roggo, S.³ Wetzel, S.⁴ Koch, M.A.⁵ Waldmann, H.⁶

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.