메뉴 건너뛰기




Volumn 18, Issue 23-24, 2013, Pages 1221-1227

Fragment-based hit identification: Thinking in 3D

Author keywords

[No Author keywords available]

Indexed keywords

NEW DRUG; MOLECULAR LIBRARY;

EID: 84889100044     PISSN: 13596446     EISSN: 18785832     Source Type: Journal    
DOI: 10.1016/j.drudis.2013.07.011     Document Type: Review
Times cited : (137)

References (25)
  • 1
    • 84874414338 scopus 로고    scopus 로고
    • Fragment-based lead discovery grows up
    • M. Baker Fragment-based lead discovery grows up Nat. Rev. Drug Discov. 12 2013 5 7
    • (2013) Nat. Rev. Drug Discov. , vol.12 , pp. 5-7
    • Baker, M.1
  • 2
    • 79952429629 scopus 로고    scopus 로고
    • Experiences in fragment-based lead discovery
    • R.E. Hubbard, and J.B. Murray Experiences in fragment-based lead discovery Methods Enzymol. 493 2011 509 531
    • (2011) Methods Enzymol. , vol.493 , pp. 509-531
    • Hubbard, R.E.1    Murray, J.B.2
  • 3
    • 46849089254 scopus 로고    scopus 로고
    • Recent developments in fragment-based drug discovery
    • M. Congreve Recent developments in fragment-based drug discovery J. Med. Chem. 51 2008 3661 3680
    • (2008) J. Med. Chem. , vol.51 , pp. 3661-3680
    • Congreve, M.1
  • 4
    • 3042689621 scopus 로고    scopus 로고
    • Fragment-based drug discovery
    • D.A. Erlanson Fragment-based drug discovery J. Med. Chem. 47 2004 3463 3482
    • (2004) J. Med. Chem. , vol.47 , pp. 3463-3482
    • Erlanson, D.A.1
  • 5
    • 84860511479 scopus 로고    scopus 로고
    • Experiences in fragment-based drug discovery
    • C.W. Murray Experiences in fragment-based drug discovery Trends Pharmacol. Sci. XX 2012 1 9
    • (2012) Trends Pharmacol. Sci. , vol.20 , pp. 1-9
    • Murray, C.W.1
  • 6
    • 0035324944 scopus 로고    scopus 로고
    • Molecular complexity and its impact on the probability of finding leads for drug discovery
    • M.M. Hann Molecular complexity and its impact on the probability of finding leads for drug discovery J. Chem. Inf. Comput. Sci. 41 2001 856 864
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 856-864
    • Hann, M.M.1
  • 7
    • 80053471789 scopus 로고    scopus 로고
    • The influence of the 'organizational factor' on compound quality in drug discovery
    • P.D. Leeson, and S.A. St-Gallay The influence of the 'organizational factor' on compound quality in drug discovery Nat. Rev. Drug Discov. 10 2011 749 765
    • (2011) Nat. Rev. Drug Discov. , vol.10 , pp. 749-765
    • Leeson, P.D.1    St-Gallay, S.A.2
  • 8
    • 70350409235 scopus 로고    scopus 로고
    • The impact of aromatic ring count on compound developability: Are too many aromatic rings a liability in drug design?
    • T.J. Ritchie, and S.J.F. MacDonald The impact of aromatic ring count on compound developability: are too many aromatic rings a liability in drug design? Drug Discov. Today 14 2009 1011 1020
    • (2009) Drug Discov. Today , vol.14 , pp. 1011-1020
    • Ritchie, T.J.1    Macdonald, S.J.F.2
  • 9
    • 71049126548 scopus 로고    scopus 로고
    • Escape from flatland: Increasing saturation as an approach to improving clinical success
    • F. Lovering Escape from flatland: increasing saturation as an approach to improving clinical success J. Med. Chem. 52 2009 6752 6756
    • (2009) J. Med. Chem. , vol.52 , pp. 6752-6756
    • Lovering, F.1
  • 10
    • 84872038006 scopus 로고    scopus 로고
    • Inflation of correlation in the pursuit of drug-likeness
    • P.W. Kenny, and C.A. Montanari Inflation of correlation in the pursuit of drug-likeness J. Comput. Aided Mol. Des. 27 2013 1 13
    • (2013) J. Comput. Aided Mol. Des. , vol.27 , pp. 1-13
    • Kenny, P.W.1    Montanari, C.A.2
  • 11
    • 0141726877 scopus 로고    scopus 로고
    • A 'rule of three' for fragment-based lead discovery?
    • M. Congreve A 'rule of three' for fragment-based lead discovery? Drug Discov. Today 8 2003 876 877
    • (2003) Drug Discov. Today , vol.8 , pp. 876-877
    • Congreve, M.1
  • 12
    • 67650924493 scopus 로고    scopus 로고
    • Design of compound libraries for fragment screening
    • N. Blomberg Design of compound libraries for fragment screening J. Comput. Aided Mol. Des. 23 2009 513 525
    • (2009) J. Comput. Aided Mol. Des. , vol.23 , pp. 513-525
    • Blomberg, N.1
  • 13
    • 0038512037 scopus 로고    scopus 로고
    • Molecular shape diversity of combinatorial libraries: A prerequisite for broad bioactivity
    • W.H.B. Sauer, and M.K. Schwarz Molecular shape diversity of combinatorial libraries: a prerequisite for broad bioactivity J. Chem. Inf. Comput. Sci. 43 2003 987 1003
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 987-1003
    • Sauer, W.H.B.1    Schwarz, M.K.2
  • 14
    • 33745351349 scopus 로고    scopus 로고
    • A family of ring system-based structural fragments for use in structure-activity studies: Database mining and recursive partitioning
    • R. Nilakantan A family of ring system-based structural fragments for use in structure-activity studies: database mining and recursive partitioning Chem. Inf. Mod. 46 2006 1069 1077
    • (2006) Chem. Inf. Mod. , vol.46 , pp. 1069-1077
    • Nilakantan, R.1
  • 15
    • 84861017386 scopus 로고    scopus 로고
    • Methyl effects on protein ligand binding
    • C.S. Leung Methyl effects on protein ligand binding J. Med. Chem. 55 2012 4489 4500
    • (2012) J. Med. Chem. , vol.55 , pp. 4489-4500
    • Leung, C.S.1
  • 16
    • 37849043411 scopus 로고    scopus 로고
    • Application of fragment-based lead generation to the discovery of novel, cyclic amidine β-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency
    • P.D. Edwards Application of fragment-based lead generation to the discovery of novel, cyclic amidine β-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency J. Med. Chem. 50 2007 5912 5925
    • (2007) J. Med. Chem. , vol.50 , pp. 5912-5925
    • Edwards, P.D.1
  • 17
    • 48049086591 scopus 로고    scopus 로고
    • Lessons learnt from assembling screening libraries for drug discovery for neglected diseases
    • R. Brenk Lessons learnt from assembling screening libraries for drug discovery for neglected diseases ChemMedChem 3 2008 435 444
    • (2008) ChemMedChem , vol.3 , pp. 435-444
    • Brenk, R.1
  • 18
    • 80051785330 scopus 로고    scopus 로고
    • Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics
    • W.F. Lau Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics J. Comput. Aided Mol. Des. 25 2011 621 636
    • (2011) J. Comput. Aided Mol. Des. , vol.25 , pp. 621-636
    • Lau, W.F.1
  • 19
    • 84856134589 scopus 로고    scopus 로고
    • Lead-oriented synthesis: A new opportunity for synthetic chemistry
    • A. Nadin Lead-oriented synthesis: a new opportunity for synthetic chemistry Angew. Chem. Int. Ed. 51 2012 1114 1122
    • (2012) Angew. Chem. Int. Ed. , vol.51 , pp. 1114-1122
    • Nadin, A.1
  • 21
    • 0030943408 scopus 로고    scopus 로고
    • Selecting optimally diverse compounds from structure databases: A validation study of two-dimensional and three-dimensional molecular descriptors
    • H. Matter Selecting optimally diverse compounds from structure databases: a validation study of two-dimensional and three-dimensional molecular descriptors J. Med. Chem. 40 1997 1219 1229
    • (1997) J. Med. Chem. , vol.40 , pp. 1219-1229
    • Matter, H.1
  • 22
    • 0029233859 scopus 로고
    • Simulation analysis of experimental design strategies for screening random compounds as potential new drugs and agrochemicals
    • R.J. Taylor Simulation analysis of experimental design strategies for screening random compounds as potential new drugs and agrochemicals Chem. Inf. Comput. Sci. 35 1995 59 67
    • (1995) Chem. Inf. Comput. Sci. , vol.35 , pp. 59-67
    • Taylor, R.J.1
  • 23
    • 84869987352 scopus 로고    scopus 로고
    • Enumeration of 166 billion organic small molecules in the Chemical Universe Database GDB-17
    • L. Ruddigkeit Enumeration of 166 billion organic small molecules in the Chemical Universe Database GDB-17 J. Chem. Inf. Model. 52 2012 2864 2875
    • (2012) J. Chem. Inf. Model. , vol.52 , pp. 2864-2875
    • Ruddigkeit, L.1
  • 24
    • 79953703975 scopus 로고    scopus 로고
    • Fragment screening to predict druggability (ligandability) and lead discovery success
    • F.N.B. Edfeldt Fragment screening to predict druggability (ligandability) and lead discovery success Drug Discov. Today 16 2011 284 287
    • (2011) Drug Discov. Today , vol.16 , pp. 284-287
    • Edfeldt, F.N.B.1
  • 25
    • 0032058905 scopus 로고    scopus 로고
    • RECAP: Retrosynthetic Combinatorial Analysis Procedure: A powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry
    • X.Q. Lewell RECAP: Retrosynthetic Combinatorial Analysis Procedure: a powerful new technique for identifying privileged molecular fragments with useful applications in combinatorial chemistry J. Chem. Inf. Comput. Sci. 38 1998 511 522
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 511-522
    • Lewell, X.Q.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.