메뉴 건너뛰기




Volumn 60, Issue 5, 2017, Pages 1638-1647

Combining Molecular Scaffolds from FDA Approved Drugs: Application to Drug Discovery

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR SCAFFOLD; MOLECULAR LIBRARY;

EID: 85015093671     PISSN: 00222623     EISSN: 15204804     Source Type: Journal    
DOI: 10.1021/acs.jmedchem.6b01367     Document Type: Article
Times cited : (62)

References (28)
  • 2
    • 4344645978 scopus 로고    scopus 로고
    • Can the Pharmaceutical Industry Reduce Attrition Rates?
    • Kola, I.; Landis, J. Can the Pharmaceutical Industry Reduce Attrition Rates? Nat. Rev. Drug Discovery 2004, 3 ( 8 ) 711-715 10.1038/nrd1470
    • (2004) Nat. Rev. Drug Discovery , vol.3 , Issue.8 , pp. 711-715
    • Kola, I.1    Landis, J.2
  • 3
    • 84869987352 scopus 로고    scopus 로고
    • Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17
    • Ruddigkeit, L.; van Deursen, R.; Blum, L. C.; Reymond, J.-L. Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17 J. Chem. Inf. Model. 2012, 52 ( 11 ) 2864-2875 10.1021/ci300415d
    • (2012) J. Chem. Inf. Model. , vol.52 , Issue.11 , pp. 2864-2875
    • Ruddigkeit, L.1    Van Deursen, R.2    Blum, L.C.3    Reymond, J.-L.4
  • 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 ( 1 ) 3-50 10.1002/(SICI)1098-1128(199601)16:1<3::AID-MED1>3.0.CO;2-6
    • (1996) Med. Res. Rev. , vol.16 , Issue.1 , pp. 3-50
    • Bohacek, R.S.1    McMartin, C.2    Guida, W.C.3
  • 5
    • 0037362041 scopus 로고    scopus 로고
    • Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups
    • Ertl, P. Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups J. Chem. Inf. Comput. Sci. 2003, 43 ( 2 ) 374-380 10.1021/ci0255782
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , Issue.2 , pp. 374-380
    • Ertl, P.1
  • 6
    • 84942374624 scopus 로고    scopus 로고
    • Photometry-Based Estimation of the Total Number of Stars in the Universe
    • Manojlović, L. M. Photometry-Based Estimation of the Total Number of Stars in the Universe Appl. Opt. 2015, 54 ( 21 ) 6589-6591 10.1364/AO.54.006589
    • (2015) Appl. Opt. , vol.54 , Issue.21 , pp. 6589-6591
    • Manojlović, L.M.1
  • 7
    • 77952477596 scopus 로고    scopus 로고
    • Privileged Scaffolds for Library Design and Drug Discovery
    • Welsch, M. E.; Snyder, S. A.; Stockwell, B. R. Privileged Scaffolds for Library Design and Drug Discovery Curr. Opin. Chem. Biol. 2010, 14 ( 3 ) 347-361 10.1016/j.cbpa.2010.02.018
    • (2010) Curr. Opin. Chem. Biol. , vol.14 , Issue.3 , pp. 347-361
    • Welsch, M.E.1    Snyder, S.A.2    Stockwell, B.R.3
  • 8
    • 77149161768 scopus 로고    scopus 로고
    • BioCores: Identification of a Drug/natural Product-Based Privileged Structural Motif for Small-Molecule Lead Discovery
    • Kombarov, R.; Altieri, A.; Genis, D.; Kirpichenok, M.; Kochubey, V.; Rakitina, N.; Titarenko, Z. BioCores: Identification of a Drug/natural Product-Based Privileged Structural Motif for Small-Molecule Lead Discovery Mol. Diversity 2010, 14 ( 1 ) 193-200 10.1007/s11030-009-9157-5
    • (2010) Mol. Diversity , vol.14 , Issue.1 , pp. 193-200
    • Kombarov, R.1    Altieri, A.2    Genis, D.3    Kirpichenok, M.4    Kochubey, V.5    Rakitina, N.6    Titarenko, Z.7
  • 9
    • 84908431043 scopus 로고    scopus 로고
    • Privileged Structures: Efficient Chemical “navigators” toward Unexplored Biologically Relevant Chemical Spaces
    • Kim, J.; Kim, H.; Park, S. B. Privileged Structures: Efficient Chemical “navigators” toward Unexplored Biologically Relevant Chemical Spaces J. Am. Chem. Soc. 2014, 136 ( 42 ) 14629-14638 10.1021/ja508343a
    • (2014) J. Am. Chem. Soc. , vol.136 , Issue.42 , pp. 14629-14638
    • Kim, J.1    Kim, H.2    Park, S.B.3
  • 11
    • 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
    • Lewell, X. Q.; Judd, D. B.; Watson, S. P.; Hann, M. M. 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. 1998, 38 ( 3 ) 511-522 10.1021/ci970429i
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , Issue.3 , pp. 511-522
    • Lewell, X.Q.1    Judd, D.B.2    Watson, S.P.3    Hann, M.M.4
  • 12
    • 84866261462 scopus 로고    scopus 로고
    • Database of Bioactive Ring Systems with Calculated Properties and Its Use in Bioisosteric Design and Scaffold Hopping
    • Ertl, P. Database of Bioactive Ring Systems with Calculated Properties and Its Use in Bioisosteric Design and Scaffold Hopping Bioorg. Med. Chem. 2012, 20 ( 18 ) 5436-5442 10.1016/j.bmc.2012.02.058
    • (2012) Bioorg. Med. Chem. , vol.20 , Issue.18 , pp. 5436-5442
    • Ertl, P.1
  • 13
    • 84937764242 scopus 로고    scopus 로고
    • Current Kinase Inhibitors Cover a Tiny Fraction of Fragment Space
    • Zhao, H.; Caflisch, A. Current Kinase Inhibitors Cover a Tiny Fraction of Fragment Space Bioorg. Med. Chem. Lett. 2015, 25 ( 11 ) 2372-2376 10.1016/j.bmcl.2015.04.005
    • (2015) Bioorg. Med. Chem. Lett. , vol.25 , Issue.11 , pp. 2372-2376
    • Zhao, H.1    Caflisch, A.2
  • 14
    • 84930211844 scopus 로고    scopus 로고
    • Active-Learning Strategies in Computer-Assisted Drug Discovery
    • Reker, D.; Schneider, G. Active-Learning Strategies in Computer-Assisted Drug Discovery Drug Discovery Today 2015, 20 ( 4 ) 458-465 10.1016/j.drudis.2014.12.004
    • (2015) Drug Discovery Today , vol.20 , Issue.4 , pp. 458-465
    • Reker, D.1    Schneider, G.2
  • 16
    • 0029894013 scopus 로고    scopus 로고
    • The Properties of Known Drugs. 1. Molecular Frameworks
    • Bemis, G. W.; Murcko, M. A. The Properties of Known Drugs. 1. Molecular Frameworks J. Med. Chem. 1996, 39 ( 15 ) 2887-2893 10.1021/jm9602928
    • (1996) J. Med. Chem. , vol.39 , Issue.15 , pp. 2887-2893
    • Bemis, G.W.1    Murcko, M.A.2
  • 17
    • 0141726877 scopus 로고    scopus 로고
    • A “Rule of Three” for Fragment-Based Lead Discovery?
    • Congreve, M.; Carr, R.; Murray, C.; Jhoti, H. A “Rule of Three” for Fragment-Based Lead Discovery? Drug Discovery Today 2003, 8 ( 19 ) 876-877 10.1016/S1359-6446(03)02831-9
    • (2003) Drug Discovery Today , vol.8 , Issue.19 , pp. 876-877
    • Congreve, M.1    Carr, R.2    Murray, C.3    Jhoti, H.4
  • 18
    • 84984763696 scopus 로고    scopus 로고
    • Chemical Space
    • Kirkpatrick, P.; Ellis, C. Chemical Space Nature 2004, 432 ( 7019 ) 823-823 10.1038/432823a
    • (2004) Nature , vol.432 , Issue.7019 , pp. 823
    • Kirkpatrick, P.1    Ellis, C.2
  • 20
    • 85015068911 scopus 로고    scopus 로고
    • eMolecules Inc. (accessed October 10, 2015)
    • eMolecules Inc. http://www.emolecules.com (accessed October 10, 2015).
  • 23
    • 78449296488 scopus 로고    scopus 로고
    • ChemSpider: An Online Chemical Information Resource
    • Pence, H. E.; Williams, A. ChemSpider: An Online Chemical Information Resource J. Chem. Educ. 2010, 87 ( 11 ) 1123-1124 10.1021/ed100697w
    • (2010) J. Chem. Educ. , vol.87 , Issue.11 , pp. 1123-1124
    • Pence, H.E.1    Williams, A.2
  • 24
    • 0037394124 scopus 로고    scopus 로고
    • Designing Screens: How to Make Your Hits a Hit
    • Walters, W. P.; Namchuk, M. Designing Screens: How to Make Your Hits a Hit Nat. Rev. Drug Discovery 2003, 2 ( 4 ) 259-266 10.1038/nrd1063
    • (2003) Nat. Rev. Drug Discovery , vol.2 , Issue.4 , pp. 259-266
    • Walters, W.P.1    Namchuk, M.2
  • 25
    • 84860511479 scopus 로고    scopus 로고
    • Experiences in Fragment-Based Drug Discovery
    • Murray, C. W.; Verdonk, M. L.; Rees, D. C. Experiences in Fragment-Based Drug Discovery Trends Pharmacol. Sci. 2012, 33 ( 5 ) 224-232 10.1016/j.tips.2012.02.006
    • (2012) Trends Pharmacol. Sci. , vol.33 , Issue.5 , pp. 224-232
    • Murray, C.W.1    Verdonk, M.L.2    Rees, D.C.3
  • 26
    • 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 ( 3 ) 856-864 10.1021/ci000403i
    • (2001) J. Chem. Inf. Comput. Sci. , vol.41 , Issue.3 , pp. 856-864
    • Hann, M.M.1    Leach, A.R.2    Harper, G.3
  • 27
    • 84881315859 scopus 로고    scopus 로고
    • The “Rule of Three” for Fragment-Based Drug Discovery: Where Are We Now?
    • Jhoti, H.; Williams, G.; Rees, D. C.; Murray, C. W. The “Rule of Three” for Fragment-Based Drug Discovery: Where Are We Now? Nat. Rev. Drug Discovery 2013, 12 ( 8 ) 644-645 10.1038/nrd3926-c1
    • (2013) Nat. Rev. Drug Discovery , vol.12 , Issue.8 , pp. 644-645
    • Jhoti, H.1    Williams, G.2    Rees, D.C.3    Murray, C.W.4
  • 28
    • 84893344225 scopus 로고    scopus 로고
    • Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening
    • Mok, N. Y.; Brenk, R.; Brown, N. Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening J. Chem. Inf. Model. 2014, 54 ( 1 ) 79-85 10.1021/ci400632y
    • (2014) J. Chem. Inf. Model. , vol.54 , Issue.1 , pp. 79-85
    • Mok, N.Y.1    Brenk, R.2    Brown, N.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.