SCOPUS 정보 검색 플랫폼

MedChemComm

Volumn 1, Issue 5, 2010, Pages 325-330

Meta-analysis of molecular property patterns and filtering of public datasets of antimalarial "hits" and drugs

(2) Ekins, Sean a,b,c,d Williams, Antony J e

a Collaborative Drug Discovery ^* (United States)

b Collaborations in Chemistry ^* (United States)

c UNIVERSITY OF MARYLAND (United States)

d RUTGERS ROBERT WOOD JOHNSON MEDICAL SCHOOL (United States)

e ROYAL SOCIETY OF CHEMISTRY (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AMODIAQUINE; AMOPYROQUINE; ANTIMALARIAL AGENT; ARTESUNATE; ATOVAQUONE; CHLOROQUINE; HALOFANTRINE; HYDROXYCHLOROQUINE; MEFLOQUINE; MEPACRINE; PENTAQUINE; PRIMAQUINE; PROGUANIL; PYRIMETHAMINE; QUININE;

ARTICLE; DIGITAL FILTERING; DRUG SCREENING; HIGH THROUGHPUT SCREENING; HYDROGEN BOND; MALARIA; MOLECULAR WEIGHT; PHYSICAL CHEMISTRY; PLASMODIUM FALCIPARUM; PRIORITY JOURNAL; SURFACE PROPERTY;

EID: 79953694249 PISSN: 20402503 EISSN: 20402511 Source Type: Journal
DOI: 10.1039/c0md00129e Document Type: Article

Times cited : (21)

References (49)

1
- 77952696164
- D. A. Fidock Nature 2010 465 297 298
- (2010) Nature , vol.465 , pp. 297-298
- Fidock, D.A.¹

2
- 54349105873
- T. S. Balganesh P. M. Alzari S. T. Cole Trends Pharmacol. Sci. 2008 29 576 581
- (2008) Trends Pharmacol. Sci. , vol.29 , pp. 576-581
- Balganesh, T.S.¹ Alzari, P.M.² Cole, S.T.³

3
- 0242492756
- S. Nwaka R. G. Ridley Nat. Rev. Drug Discovery 2003 2 919 928
- (2003) Nat. Rev. Drug Discovery , vol.2 , pp. 919-928
- Nwaka, S.¹ Ridley, R.G.²

4
- 61849137243
- M. Hohman K. Gregory K. Chibale P. J. Smith S. Ekins B. Bunin Drug Discovery Today 2009 14 261 270
- (2009) Drug Discovery Today , vol.14 , pp. 261-270
- Hohman, M.¹ Gregory, K.² Chibale, K.³ Smith, P.J.⁴ Ekins, S.⁵ Bunin, B.⁶

5
- 77952326917
- S. Ekins J. Bradford K. Dole A. Spektor K. Gregory D. Blondeau M. Hohman B. Bunin Mol. BioSyst. 2010 6 840 851
- (2010) Mol. BioSyst. , vol.6 , pp. 840-851
- Ekins, S.¹ Bradford, J.² Dole, K.³ Spektor, A.⁴ Gregory, K.⁵ Blondeau, D.⁶ Hohman, M.⁷ Bunin, B.⁸

6
- 77949437011
- Editorial p. 956
- Editorial, The Lancet, 2010, 375, p. 956
- (2010) The Lancet , vol.375

7
- 70449108128
- J. A. Maddry S. Ananthan R. C. Goldman J. V. Hobrath C. D. Kwong C. Maddox L. Rasmussen R. C. Reynolds J. A. Secrist, 3rd M. I. Sosa E. L. White W. Zhang Tuberculosis 2009 89 354 363
- (2009) Tuberculosis , vol.89 , pp. 354-363
- Maddry, J.A.¹ Ananthan, S.² Goldman, R.C.³ Hobrath, J.V.⁴ Kwong, C.D.⁵ Maddox, C.⁶ Rasmussen, L.⁷ Reynolds, R.C.⁸ Secrist III, J.A.⁹ Sosa, M.I.¹⁰ White, E.L.¹¹ Zhang, W.¹²

8
- 70350765485
- S. Ananthan E. R. Faaleolea R. C. Goldman J. V. Hobrath C. D. Kwong B. E. Laughon J. A. Maddry A. Mehta L. Rasmussen R. C. Reynolds J. A. Secrist, 3rd N. Shindo D. N. Showe M. I. Sosa W. J. Suling E. L. White Tuberculosis 2009 89 334 353
- (2009) Tuberculosis , vol.89 , pp. 334-353
- Ananthan, S.¹ Faaleolea, E.R.² Goldman, R.C.³ Hobrath, J.V.⁴ Kwong, C.D.⁵ Laughon, B.E.⁶ Maddry, J.A.⁷ Mehta, A.⁸ Rasmussen, L.⁹ Reynolds, R.C.¹⁰ Secrist III, J.A.¹¹ Shindo, N.¹² Showe, D.N.¹³ Sosa, M.I.¹⁴ Suling, W.J.¹⁵ White, E.L.¹⁶

9
- 77952704258
- F.-J. Gamo L. M. Sanz J. Vidal C. de Cozar E. Alvarez J.-L. Lavandera D. E. Vanderwall D. V. S. Green V. Kumar S. Hasan J. R. Brown C. E. Peishoff L. R. Cardon J. F. Garcia-Bustos Nature 2010 465 305 310
- (2010) Nature , vol.465 , pp. 305-310
- Gamo, F.-J.¹ Sanz, L.M.² Vidal, J.³ De Cozar, C.⁴ Alvarez, E.⁵ Lavandera, J.-L.⁶ Vanderwall, D.E.⁷ Green, D.V.S.⁸ Kumar, V.⁹ Hasan, S.¹⁰ Brown, J.R.¹¹ Peishoff, C.E.¹² Cardon, L.R.¹³ Garcia-Bustos, J.F.¹⁴

10
- 77952718950
- W. A. Guiguemde A. A. Shelat D. Bouck S. Duffy G. J. Crowther P. H. Davis D. C. Smithson M. Connelly J. Clark F. Zhu M. B. Jimenez-Diaz M. S. Martinez E. B. Wilson A. K. Tripathi J. Gut E. R. Sharlow I. Bathurst F. El Mazouni J. W. Fowble I. Forquer P. L. McGinley S. Castro I. Angulo-Barturen S. Ferrer P. J. Rosenthal J. L. Derisi D. J. Sullivan J. S. Lazo D. S. Roos M. K. Riscoe M. A. Phillips P. K. Rathod W. C. Van Voorhis V. M. Avery R. K. Guy Nature 2010 465 311 315
- (2010) Nature , vol.465 , pp. 311-315
- Guiguemde, W.A.¹ Shelat, A.A.² Bouck, D.³ Duffy, S.⁴ Crowther, G.J.⁵ Davis, P.H.⁶ Smithson, D.C.⁷ Connelly, M.⁸ Clark, J.⁹ Zhu, F.¹⁰ Jimenez-Diaz, M.B.¹¹ Martinez, M.S.¹² Wilson, E.B.¹³ Tripathi, A.K.¹⁴ Gut, J.¹⁵ Sharlow, E.R.¹⁶ Bathurst, I.¹⁷ El Mazouni, F.¹⁸ Fowble, J.W.¹⁹ Forquer, I.²⁰ more..

11
- 79954993301
- S. Ekins, T. Kaneko, C. A. Lipinksi, J. Bradford, K. Dole, A. Spektor, K. Gregory, D. Blondeau, S. Ernst, J. Yang, N. Goncharoff, M. Hohman and B. Bunin, Molecular bioSystems, 2010
- (2010) Molecular BioSystems
- Ekins, S.¹ Kaneko, T.² Lipinksi, C.A.³ Bradford, J.⁴ Dole, K.⁵ Spektor, A.⁶ Gregory, K.⁷ Blondeau, D.⁸ Ernst, S.⁹ Yang, J.¹⁰ Goncharoff, N.¹¹ Hohman, M.¹² Bunin, B.¹³

12
- 20144366000
- G. Chen S. Zheng X. Luo J. Shen W. Zhu H. Liu C. Gui J. Zhang M. Zheng C. M. Puah K. Chen H. Jiang J. Comb. Chem. 2005 7 398 406
- (2005) J. Comb. Chem. , vol.7 , pp. 398-406
- Chen, G.¹ Zheng, S.² Luo, X.³ Shen, J.⁴ Zhu, W.⁵ Liu, H.⁶ Gui, C.⁷ Zhang, J.⁸ Zheng, M.⁹ Puah, C.M.¹⁰ Chen, K.¹¹ Jiang, H.¹²

13
- 0344254815
- V. V. Zernov K. V. Balakin A. A. Ivashchenko N. P. Savchuk I. V. Pletnev J. Chem. Inf. Compu. Sci. 2003 43 2048 2056
- (2003) J. Chem. Inf. Compu. Sci. , vol.43 , pp. 2048-2056
- Zernov, V.V.¹ Balakin, K.V.² Ivashchenko, A.A.³ Savchuk, N.P.⁴ Pletnev, I.V.⁵

14
- 0042700257
- Y. Takaoka Y. Endo S. Yamanobe H. Kakinuma T. Okubo Y. Shimazaki T. Ota S. Sumiya K. Yoshikawa J. Chem. Inf. Comput. Sci. 2003 43 1269 1275
- (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 1269-1275
- Takaoka, Y.¹ Endo, Y.² Yamanobe, S.³ Kakinuma, H.⁴ Okubo, T.⁵ Shimazaki, Y.⁶ Ota, T.⁷ Sumiya, S.⁸ Yoshikawa, K.⁹

15
- 0037204546
- W. P. Walters M. A. Murcko Adv. Drug Delivery Rev. 2002 54 255 271
- (2002) Adv. Drug Delivery Rev. , vol.54 , pp. 255-271
- Walters, W.P.¹ Murcko, M.A.²

16
- 0035821596
- I. Muegge S. L. Heald D. Brittelli J. Med. Chem. 2001 44 1841 6
- (2001) J. Med. Chem. , vol.44 , pp. 1841-6
- Muegge, I.¹ Heald, S.L.² Brittelli, D.³

17
- 0034461768
- C. A. Lipinski J. Pharmacol. Toxicol. Methods 2000 44 235 249
- (2000) J. Pharmacol. Toxicol. Methods , vol.44 , pp. 235-249
- Lipinski, C.A.¹

18
- 0032572819
- Ajay W. P. Walters M. A. Murcko J. Med. Chem. 1998 41 3314 3324
- (1998) J. Med. Chem. , vol.41 , pp. 3314-3324
- Ajay¹ Walters, W.P.² Murcko, M.A.³

19
- 39749181550
- M. P. Gleeson J. Med. Chem. 2008 51 817 834
- (2008) J. Med. Chem. , vol.51 , pp. 817-834
- Gleeson, M.P.¹

20
- 0031024171
- C. A. Lipinski F. Lombardo B. W. Dominy P. J. Feeney Adv. Drug Delivery Rev. 1997 23 3 25
- (1997) Adv. Drug Delivery Rev. , vol.23 , pp. 3-25
- Lipinski, C.A.¹ Lombardo, F.² Dominy, B.W.³ Feeney, P.J.⁴

21
- 76749147365
- A. J. Williams V. Tkachenko C. Lipinski A. Tropsha S. Ekins Drug Discovery World 2009 10 Winter 33 38
- (2009) Drug Discovery World , vol.10 , Issue.WINTER , pp. 33-38
- Williams, A.J.¹ Tkachenko, V.² Lipinski, C.³ Tropsha, A.⁴ Ekins, S.⁵

22
- 0033194752
- M. Hann B. Hudson X. Lewell R. Lifely L. Miller N. Ramsden J. Chem. Inf. Comput. Sci. 1999 39 897 902
- (1999) J. Chem. Inf. Comput. Sci. , vol.39 , pp. 897-902
- Hann, M.¹ Hudson, B.² Lewell, X.³ Lifely, R.⁴ Miller, L.⁵ Ramsden, N.⁶

23
- 33745381593
- B. C. Pearce M. J. Sofia A. C. Good D. M. Drexler D. A. Stock J. Chem. Inf. Model. 2006 46 1060 1068
- (2006) J. Chem. Inf. Model. , vol.46 , pp. 1060-1068
- Pearce, B.C.¹ Sofia, M.J.² Good, A.C.³ Drexler, D.M.⁴ Stock, D.A.⁵

24
- 11844253252
- J. R. Huth R. Mendoza E. T. Olejniczak R. W. Johnson D. A. Cothron Y. Liu C. G. Lerner J. Chen P. J. Hajduk J. Am. Chem. Soc. 2005 127 217 224
- (2005) J. Am. Chem. Soc. , vol.127 , pp. 217-224
- Huth, J.R.¹ Mendoza, R.² Olejniczak, E.T.³ Johnson, R.W.⁴ Cothron, D.A.⁵ Liu, Y.⁶ Lerner, C.G.⁷ Chen, J.⁸ Hajduk, P.J.⁹

25
- 38149108462
- J. R. Huth D. Song R. R. Mendoza C. L. Black-Schaefer J. C. Mack S. A. Dorwin U. S. Ladror J. M. Severin K. A. Walter D. M. Bartley P. J. Hajduk Chem. Res. Toxicol. 2007 20 1752 1759
- (2007) Chem. Res. Toxicol. , vol.20 , pp. 1752-1759
- Huth, J.R.¹ Song, D.² Mendoza, R.R.³ Black-Schaefer, C.L.⁴ MacK, J.C.⁵ Dorwin, S.A.⁶ Ladror, U.S.⁷ Severin, J.M.⁸ Walter, K.A.⁹ Bartley, D.M.¹⁰ Hajduk, P.J.¹¹

26
- 33947194049
- J. T. Metz J. R. Huth P. J. Hajduk J. Comput.-Aided Mol. Des. 2007 21 139 144
- (2007) J. Comput.-Aided Mol. Des. , vol.21 , pp. 139-144
- Metz, J.T.¹ Huth, J.R.² Hajduk, P.J.³

27
- 77950571108
- J. B. Baell G. A. Holloway J. Med. Chem. 2010 53 2719 2740
- (2010) J. Med. Chem. , vol.53 , pp. 2719-2740
- Baell, J.B.¹ Holloway, G.A.²

28
- 79955015556
- K. Gagaring, R. Borboa, C. Francek, Z. Chen, J. Buenviaje, D. Plouffe, E. Winzeler, A. Brinker, T. Diagena, J. Taylor, R. Glynne, A. Chatterjee and K. Kuhen, ChEMBL-NTD (www.ebi.ac.uk/chemblntd)
- Gagaring, K.¹ Borboa, R.² Francek, C.³ Chen, Z.⁴ Buenviaje, J.⁵ Plouffe, D.⁶ Winzeler, E.⁷ Brinker, A.⁸ Diagena, T.⁹ Taylor, J.¹⁰ Glynne, R.¹¹ Chatterjee, A.¹² Kuhen, K.¹³

29
- 33644876253
- D. L. Wheeler T. Barrett D. A. Benson S. H. Bryant K. Canese V. Chetvernin D. M. Church M. DiCuccio R. Edgar S. Federhen L. Y. Geer W. Helmberg Y. Kapustin D. L. Kenton O. Khovayko D. J. Lipman T. L. Madden D. R. Maglott J. Ostell K. D. Pruitt G. D. Schuler L. M. Schriml E. Sequeira S. T. Sherry K. Sirotkin A. Souvorov G. Starchenko T. O. Suzek R. Tatusov T. A. Tatusova L. Wagner E. Yaschenko Nucleic Acids Res. 2006 34 D173 180
- (2006) Nucleic Acids Res. , vol.34 , pp. 173-180
- Wheeler, D.L.¹ Barrett, T.² Benson, D.A.³ Bryant, S.H.⁴ Canese, K.⁵ Chetvernin, V.⁶ Church, D.M.⁷ Dicuccio, M.⁸ Edgar, R.⁹ Federhen, S.¹⁰ Geer, L.Y.¹¹ Helmberg, W.¹² Kapustin, Y.¹³ Kenton, D.L.¹⁴ Khovayko, O.¹⁵ Lipman, D.J.¹⁶ Madden, T.L.¹⁷ Maglott, D.R.¹⁸ Ostell, J.¹⁹ Pruitt, K.D.²⁰ more..

30
- 79955036938
- In Press
- S. Ekins A. J. Williams Drug Disc Today 2010
- (2010) Drug Disc Today
- Ekins, S.¹ Williams, A.J.²

31
- 33846078171
- J. F. Blake Medicinal chemistry (Shariqah (United Arab Emirates)) 2005 1 649 655
- (2005) Medicinal Chemistry (Shariqah (United Arab Emirates)) , vol.1 , pp. 649-655
- Blake, J.F.¹

32
- 34547770279
- C. R. Chong D. J. Sullivan, Jr. Nature 2007 448 645 646
- (2007) Nature , vol.448 , pp. 645-646
- Chong, C.R.¹ Sullivan, Jr.D.J.²

33
- 34248598317
- C. R. Chong J. Xu J. Lu S. Bhat D. J. Sullivan, Jr. J. O. Liu ACS Chem. Biol. 2007 2 263 270
- (2007) ACS Chem. Biol. , vol.2 , pp. 263-270
- Chong, C.R.¹ Xu, J.² Lu, J.³ Bhat, S.⁴ Sullivan, Jr.D.J.⁵ Liu, J.O.⁶

34
- 33746381549
- C. R. Chong X. Chen L. Shi J. O. Liu D. J. Sullivan, Jr. Nat. Chem. Biol. 2006 2 415 416
- (2006) Nat. Chem. Biol. , vol.2 , pp. 415-416
- Chong, C.R.¹ Chen, X.² Shi, L.³ Liu, J.O.⁴ Sullivan, Jr.D.J.⁵

35
- 33646439982
- C. R. Chong D. Z. Qian F. Pan Y. Wei R. Pili D. J. Sullivan, Jr. J. O. Liu J. Med. Chem. 2006 49 2677 2680
- (2006) J. Med. Chem. , vol.49 , pp. 2677-2680
- Chong, C.R.¹ Qian, D.Z.² Pan, F.³ Wei, Y.⁴ Pili, R.⁵ Sullivan, Jr.D.J.⁶ Liu, J.O.⁷

36
- 0036589285
- T. I. Oprea J. Comput.-Aided Mol. Des. 2002 16 325 334
- (2002) J. Comput.-Aided Mol. Des. , vol.16 , pp. 325-334
- Oprea, T.I.¹

37
- 0035438391
- T. I. Oprea A. M. Davis S. J. Teague P. D. Leeson J. Chem. Inf. Comput. Sci. 2001 41 1308 1315
- (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 1308-1315
- Oprea, T.I.¹ Davis, A.M.² Teague, S.J.³ Leeson, P.D.⁴

38
- 60549111040
- P. Axerio-Cilies I. P. Castaneda A. Mirza J. Reynisson Eur. J. Med. Chem. 2009 44 1128 1134
- (2009) Eur. J. Med. Chem. , vol.44 , pp. 1128-1134
- Axerio-Cilies, P.¹ Castaneda, I.P.² Mirza, A.³ Reynisson, J.⁴

39
- 64549160613
- J. Rosen J. Gottfries S. Muresan A. Backlund T. I. Oprea J. Med. Chem. 2009 52 1953 1962
- (2009) J. Med. Chem. , vol.52 , pp. 1953-1962
- Rosen, J.¹ Gottfries, J.² Muresan, S.³ Backlund, A.⁴ Oprea, T.I.⁵

40
- 79955038486
- S. Ekins, J. J. Xu and A. J. Williams, Drug Metab. Dispos., 2010
- (2010) Drug Metab. Dispos.
- Ekins, S.¹ Xu, J.J.² Williams, A.J.³

41
- 0141923641
- J. Seidler S. L. McGovern T. N. Doman B. K. Shoichet J. Med. Chem. 2003 46 4477 4486
- (2003) J. Med. Chem. , vol.46 , pp. 4477-4486
- Seidler, J.¹ McGovern, S.L.² Doman, T.N.³ Shoichet, B.K.⁴

42
- 49949151887
- G. M. Rishton Curr. Opin. Chem. Biol. 2008 12 340 351
- (2008) Curr. Opin. Chem. Biol. , vol.12 , pp. 340-351
- Rishton, G.M.¹

43
- 27944441154
- G. M. Rishton Medicinal chemistry (Shariqah (United Arab Emirates)) 2005 1 519 527
- (2005) Medicinal Chemistry (Shariqah (United Arab Emirates)) , vol.1 , pp. 519-527
- Rishton, G.M.¹

44
- 67650308267
- T. I. Oprea C. G. Bologa S. Boyer R. F. Curpan R. C. Glen A. L. Hopkins C. A. Lipinski G. R. Marshall Y. C. Martin L. Ostopovici-Halip G. Rishton O. Ursu R. J. Vaz C. Waller H. Waldmann L. A. Sklar Nat. Chem. Biol. 2009 5 441 447
- (2009) Nat. Chem. Biol. , vol.5 , pp. 441-447
- Oprea, T.I.¹ Bologa, C.G.² Boyer, S.³ Curpan, R.F.⁴ Glen, R.C.⁵ Hopkins, A.L.⁶ Lipinski, C.A.⁷ Marshall, G.R.⁸ Martin, Y.C.⁹ Ostopovici-Halip, L.¹⁰ Rishton, G.¹¹ Ursu, O.¹² Vaz, R.J.¹³ Waller, C.¹⁴ Waldmann, H.¹⁵ Sklar, L.A.¹⁶

45
- 47749106894
- K. E. Coan B. K. Shoichet J. Am. Chem. Soc. 2008 130 9606 9612
- (2008) J. Am. Chem. Soc. , vol.130 , pp. 9606-9612
- Coan, K.E.¹ Shoichet, B.K.²

46
- 34249000046
- B. Y. Feng A. Simeonov A. Jadhav K. Babaoglu J. Inglese B. K. Shoichet C. P. Austin J. Med. Chem. 2007 50 2385 2390
- (2007) J. Med. Chem. , vol.50 , pp. 2385-2390
- Feng, B.Y.¹ Simeonov, A.² Jadhav, A.³ Babaoglu, K.⁴ Inglese, J.⁵ Shoichet, B.K.⁶ Austin, C.P.⁷

47
- 74849118854
- pp. 37-51
- A. Jadhav, R. S. Ferreira, C. Klumpp, B. T. Mott, C. P. Austin, J. Inglese, C. J. Thomas, D. J. Maloney, B. K. Shoichet and A. Simeonov, J. Med. Chem., 53, pp. 37-51
- J. Med. Chem. , vol.53
- Jadhav, A.¹ Ferreira, R.S.² Klumpp, C.³ Mott, B.T.⁴ Austin, C.P.⁵ Inglese, J.⁶ Thomas, C.J.⁷ Maloney, D.J.⁸ Shoichet, B.K.⁹ Simeonov, A.¹⁰

48
- 79955044925
- A. K. Doak, H. Wille, S. B. Prusiner and B. K. Shoichet, J. Med. Chem
- J. Med. Chem
- Doak, A.K.¹ Wille, H.² Prusiner, S.B.³ Shoichet, B.K.⁴

49
- 77749317552
- C. Schmidt Nat. Biotechnol. 2010 28 185 186
- (2010) Nat. Biotechnol. , vol.28 , pp. 185-186
- Schmidt, C.¹

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.