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Volumn 56, Issue 6, 2013, Pages 2478-2486

How are fragments optimized? A retrospective analysis of 145 fragment optimizations

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LIGAND;

EID: 84875727654     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/jm301851v     Document Type: Article
Times cited : (49)

References (31)
  • 1
    • 46849089254 scopus 로고    scopus 로고
    • Recent developments in fragment-based drug discovery
    • Congreve, M.; Chessari, G.; Tisi, D.; Woodhead, A. J. Recent developments in fragment-based drug discovery J. Med. Chem. 2008, 51, 3661-3680
    • (2008) J. Med. Chem. , vol.51 , pp. 3661-3680
    • Congreve, M.1    Chessari, G.2    Tisi, D.3    Woodhead, A.J.4
  • 3
    • 67649619336 scopus 로고    scopus 로고
    • 970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
    • Blum, L. C.; Reymond, J.-L. 970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13 J. Am. Chem. Soc. 2009, 131, 8732-8733
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 8732-8733
    • Blum, L.C.1    Reymond, J.-L.2
  • 4
    • 0030039619 scopus 로고    scopus 로고
    • The art and practice of structure-based drug design: A molecular modeling perspective
    • Bohacek, R. S.; McMartin, C.; Guida, W. C. The art and practice of structure-based drug design: A molecular modeling perspective Med. Res. Rev. 1996, 16, 3-50
    • (1996) Med. Res. Rev. , vol.16 , pp. 3-50
    • Bohacek, R.S.1    McMartin, C.2    Guida, W.C.3
  • 5
    • 0035324944 scopus 로고    scopus 로고
    • Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
    • Hann, M. M.; Leach, A. R.; Harper, G. Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery J. Chem. Inf. Comput. Sci. 2001, 41, 856-864
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , pp. 856-864
    • Hann, M.M.1    Leach, A.R.2    Harper, G.3
  • 6
    • 79960997906 scopus 로고    scopus 로고
    • Molecular complexity and fragment-based drug discovery: Ten years on
    • Leach, A. R.; Hann, M. M. Molecular complexity and fragment-based drug discovery: ten years on Curr. Opin. Chem. Biol. 2011, 15, 489-496
    • (2011) Curr. Opin. Chem. Biol. , vol.15 , pp. 489-496
    • Leach, A.R.1    Hann, M.M.2
  • 7
  • 9
    • 67849113794 scopus 로고    scopus 로고
    • The rise of fragment-based drug discovery
    • Murray, C. W.; Rees, D. C. The rise of fragment-based drug discovery Nat. Chem. 2009, 1, 187-192
    • (2009) Nat. Chem. , vol.1 , pp. 187-192
    • Murray, C.W.1    Rees, D.C.2
  • 10
    • 77957229353 scopus 로고    scopus 로고
    • Thermodynamics guided lead discovery and optimization
    • Ferenczy, G. G.; Keseru, G. M. Thermodynamics guided lead discovery and optimization Drug Discovery Today 2010, 15, 919-932
    • (2010) Drug Discovery Today , vol.15 , pp. 919-932
    • Ferenczy, G.G.1    Keseru, G.M.2
  • 11
    • 61649109015 scopus 로고    scopus 로고
    • The influence of lead discovery strategies on the properties of drug candidates
    • Keseru, G. M.; Makara, G. M. The influence of lead discovery strategies on the properties of drug candidates Nat. Rev. Drug Discovery 2009, 8, 203-12
    • (2009) Nat. Rev. Drug Discovery , vol.8 , pp. 203-212
    • Keseru, G.M.1    Makara, G.M.2
  • 12
    • 79955613841 scopus 로고    scopus 로고
    • Molecular obesity, potency and other addictions in drug discovery Med
    • Hann, M. M. Molecular obesity, potency and other addictions in drug discovery Med Chem. Commun. 2011, 2, 349-355
    • (2011) Chem. Commun. , vol.2 , pp. 349-355
    • Hann, M.M.1
  • 13
    • 79952171625 scopus 로고    scopus 로고
    • Overington, Probing the links between in vitro potency, ADMET and physicochemical parameters
    • Gleeson, M. P.; Hersey, A.; Montanari, D. Overington, Probing the links between in vitro potency, ADMET and physicochemical parameters Nat. Rev. Drug Discovery 2011, 10, 197-208
    • (2011) Nat. Rev. Drug Discovery , vol.10 , pp. 197-208
    • Gleeson, M.P.1    Hersey, A.2    Montanari, D.3
  • 14
    • 77749315417 scopus 로고    scopus 로고
    • Lipophilicity in drug discovery
    • Waring, M. Lipophilicity in drug discovery Expert Opin. Drug Discovery 2010, 5, 235-248
    • (2010) Expert Opin. Drug Discovery , vol.5 , pp. 235-248
    • Waring, M.1
  • 16
    • 36248997755 scopus 로고    scopus 로고
    • Fragment-based drug discovery: What has it achieved so far?
    • Alex, A. A.; Flocco, M. M. Fragment-based drug discovery: What has it achieved so far? Curr. Top. Med. Chem. 2007, 7, 1544-1567
    • (2007) Curr. Top. Med. Chem. , vol.7 , pp. 1544-1567
    • Alex, A.A.1    Flocco, M.M.2
  • 17
    • 84875718681 scopus 로고    scopus 로고
    • JChem for Excel 5.11.3.822, ChemAxon ()
    • JChem for Excel 5.11.3.822, 2012, ChemAxon (http://www.chemaxon.com)
    • (2012)
  • 18
    • 84875740654 scopus 로고    scopus 로고
    • StatSoft Inc. () STATISTICA (data analysis software system), version 10.
    • StatSoft Inc. (2010) STATISTICA (data analysis software system), version 10. www.statsoft.com.
    • (2010)
  • 19
    • 67650085841 scopus 로고    scopus 로고
    • Simple Size-Independent Measure of Ligand Efficiency
    • Nissink, J. W. M. Simple Size-Independent Measure of Ligand Efficiency J. Chem. Inf. Model. 2009, 49, 1617-1622
    • (2009) J. Chem. Inf. Model. , vol.49 , pp. 1617-1622
    • Nissink, J.W.M.1
  • 20
    • 35748934487 scopus 로고    scopus 로고
    • The influence of drug-like concepts on decision-making in medicinal chemistry
    • Leeson, P. D.; Springthorpe, B. The influence of drug-like concepts on decision-making in medicinal chemistry Nat. Rev. Drug Discovery 2007, 6, 881-890
    • (2007) Nat. Rev. Drug Discovery , vol.6 , pp. 881-890
    • Leeson, P.D.1    Springthorpe, B.2
  • 21
    • 77950560159 scopus 로고    scopus 로고
    • An Analysis of the Binding Efficiencies of Drugs and Their Leads in Successful Drug Discovery Programs
    • Perola, E. An Analysis of the Binding Efficiencies of Drugs and Their Leads in Successful Drug Discovery Programs J. Med. Chem. 2010, 53, 2986-2997
    • (2010) J. Med. Chem. , vol.53 , pp. 2986-2997
    • Perola, E.1
  • 22
    • 67649494337 scopus 로고    scopus 로고
    • Transforming fragments into candidates: Small becomes big in medicinal chemistry
    • de Kloe, G. E.; Bailey, D.; Leurs, R.; de Esch, I. J. Transforming fragments into candidates: small becomes big in medicinal chemistry Drug Discovery Today 2009, 14, 630-46
    • (2009) Drug Discovery Today , vol.14 , pp. 630-646
    • De Kloe, G.E.1    Bailey, D.2    Leurs, R.3    De Esch, I.J.4
  • 23
    • 33845364148 scopus 로고    scopus 로고
    • Fragment-Based Drug Design: How Big Is Too Big?
    • Hajduk, P. J. Fragment-Based Drug Design: How Big Is Too Big? J. Med. Chem. 2006, 49, 6972-6976
    • (2006) J. Med. Chem. , vol.49 , pp. 6972-6976
    • Hajduk, P.J.1
  • 24
    • 80053471789 scopus 로고    scopus 로고
    • The influence of the 'organizational factor' on compound quality in drug discovery
    • Leeson, P. D.; St-Gallay, S. A. The influence of the 'organizational factor' on compound quality in drug discovery Nat. Rev. Drug Discovery 2011, 10, 749-765
    • (2011) Nat. Rev. Drug Discovery , vol.10 , pp. 749-765
    • Leeson, P.D.1    St-Gallay, S.A.2
  • 25
    • 84875713243 scopus 로고    scopus 로고
    • http://practicalfragments.blogspot.hu/2012/08/poll-results-do-you-need- structure.html.
  • 26
    • 84856935181 scopus 로고    scopus 로고
    • Introduction to Fragment-Based Drug Discovery
    • In, Davies, T. G. Hyvönen, M. Topics in Current Chemistry; Springer: New York, Vol
    • Erlanson, D. A. Introduction to Fragment-Based Drug Discovery, In Fragment-Based Drug Discovery and X-Ray Crystallography, Davies, T. G.; Hyvönen, M., Eds.; Topics in Current Chemistry; Springer: New York, 2012; Vol 317, pp 1-32.
    • (2012) Fragment-Based Drug Discovery and X-Ray Crystallography , vol.317 , pp. 1-32
    • Erlanson, D.A.1
  • 27
    • 84874414338 scopus 로고    scopus 로고
    • Fragment-based lead discovery grows up
    • Baker, M. Fragment-based lead discovery grows up Nat. Rev. Drug Discovery 2013, 12, 5-10
    • (2013) Nat. Rev. Drug Discovery , vol.12 , pp. 5-10
    • Baker, M.1
  • 28
    • 84860359784 scopus 로고    scopus 로고
    • Finding the sweet spot: The role of nature and nurture in medicinal chemistry
    • Hann, M. M.; Keseru, G. M. Finding the sweet spot:the role of nature and nurture in medicinal chemistry Nat. Rev. Drug Discovery 2012, 11, 355-365
    • (2012) Nat. Rev. Drug Discovery , vol.11 , pp. 355-365
    • Hann, M.M.1    Keseru, G.M.2
  • 29
    • 84856846240 scopus 로고    scopus 로고
    • Impact of Lipophilic Efficiency on Compound Quality
    • Tarcsay, á.; Nyíri, K.; Keseru, G. M. Impact of Lipophilic Efficiency on Compound Quality J. Med. Chem. 2012, 55, 1252-1260
    • (2012) J. Med. Chem. , vol.55 , pp. 1252-1260
    • Tarcsay, A.1    Nyíri, K.2    Keseru, G.M.3
  • 30
    • 77953680038 scopus 로고    scopus 로고
    • Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes
    • Wager, T. T.; Chandrasekaran, R. Y.; Hou, X.; Troutman, M. D.; Verhoest, P. R.; Villalobos, A.; Will, Y. Defining desirable central nervous system drug space through the alignment of molecular properties, in vitro ADME, and safety attributes ACS Chem. Neurosci. 2010, 1, 420-434
    • (2010) ACS Chem. Neurosci. , vol.1 , pp. 420-434
    • Wager, T.T.1    Chandrasekaran, R.Y.2    Hou, X.3    Troutman, M.D.4    Verhoest, P.R.5    Villalobos, A.6    Will, Y.7
  • 31
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Adv. Drug Delivery Rev. 2001, 46, 3-26
    • (2001) Adv. Drug Delivery Rev. , vol.46 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.