메뉴 건너뛰기




Volumn 7, Issue 3, 2010, Pages

Fragment library design: Efficiently hunting drugs in chemical space

Author keywords

[No Author keywords available]

Indexed keywords

NATURAL PRODUCT;

EID: 78650754832     PISSN: 17406749     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ddtec.2010.11.010     Document Type: Review
Times cited : (29)

References (85)
  • 1
    • 67649494337 scopus 로고    scopus 로고
    • Transforming fragments into candidates: Small becomes big in medicinal chemistry
    • G.E. de Kloe Transforming fragments into candidates: small becomes big in medicinal chemistry Drug Discov. Today 14 2009 630 646
    • (2009) Drug Discov. Today , vol.14 , pp. 630-646
    • De Kloe, G.E.1
  • 2
    • 67649341990 scopus 로고    scopus 로고
    • From fragment to clinical candidate - A historical perspective
    • G. Chessari, and A.J. Woodhead From fragment to clinical candidate - a historical perspective Drug Discov. Today 14 2009 668 675
    • (2009) Drug Discov. Today , vol.14 , pp. 668-675
    • Chessari, G.1    Woodhead, A.J.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
    • 17044403086 scopus 로고    scopus 로고
    • Ligand efficiency indices as guideposts for drug discovery
    • C. Abad-Zapatero, and J.T. Metz Ligand efficiency indices as guideposts for drug discovery Drug Discov. Today 10 2005 464 469
    • (2005) Drug Discov. Today , vol.10 , pp. 464-469
    • Abad-Zapatero, C.1    Metz, J.T.2
  • 5
    • 33845364148 scopus 로고    scopus 로고
    • Fragment-based drug design: How big is too big?
    • P.J. Hajduk Fragment-based drug design: How big is too big? J. Med. Chem. 49 2006 6972 6976
    • (2006) J. Med. Chem. , vol.49 , pp. 6972-6976
    • Hajduk, P.J.1
  • 6
    • 36549033318 scopus 로고    scopus 로고
    • Integration of fragment screening and library design
    • G. Siegal Integration of fragment screening and library design Drug Discov. Today 12 2007 1032 1039
    • (2007) Drug Discov. Today , vol.12 , pp. 1032-1039
    • Siegal, G.1
  • 7
    • 0041932065 scopus 로고    scopus 로고
    • NMR-based screening technologies
    • M. Coles NMR-based screening technologies Drug Discov. Today 8 2003 803 810
    • (2003) Drug Discov. Today , vol.8 , pp. 803-810
    • Coles, M.1
  • 8
    • 74249116139 scopus 로고    scopus 로고
    • Fragment library screening and lead characterization using SPR biosensors
    • U.H. Danielson Fragment library screening and lead characterization using SPR biosensors Curr. Top. Med. Chem. 9 2009 1725 1735
    • (2009) Curr. Top. Med. Chem. , vol.9 , pp. 1725-1735
    • Danielson, U.H.1
  • 9
    • 0031576702 scopus 로고    scopus 로고
    • One-dimensional relaxation- and diffusion-edited NMR methods for screening compounds that bind to macromolecules
    • P.J. Hajduk One-dimensional relaxation- and diffusion-edited NMR methods for screening compounds that bind to macromolecules J. Am. Chem. Soc. 119 1997 12257 12261
    • (1997) J. Am. Chem. Soc. , vol.119 , pp. 12257-12261
    • Hajduk, P.J.1
  • 10
    • 12344318177 scopus 로고    scopus 로고
    • Fragment-based lead discovery using X-ray crystallography
    • M.J. Hartshorn Fragment-based lead discovery using X-ray crystallography J. Med. Chem. 48 2005 403 413
    • (2005) J. Med. Chem. , vol.48 , pp. 403-413
    • Hartshorn, M.J.1
  • 11
    • 77956886623 scopus 로고    scopus 로고
    • Development of SPR biosensor assays for primary and secondary screening of AChBP ligands
    • K. Retra Development of SPR biosensor assays for primary and secondary screening of AChBP ligands Anal. Biochem. 407 2010 58 64
    • (2010) Anal. Biochem. , vol.407 , pp. 58-64
    • Retra, K.1
  • 12
    • 44949211332 scopus 로고    scopus 로고
    • Fragment-based activity space: Smaller is better
    • T. Hesterkamp, and M. Whittaker Fragment-based activity space: smaller is better Curr. Opin. Chem. Biol. 12 2008 260 268
    • (2008) Curr. Opin. Chem. Biol. , vol.12 , pp. 260-268
    • Hesterkamp, T.1    Whittaker, M.2
  • 13
    • 11144320699 scopus 로고    scopus 로고
    • Navigating chemical space for biology and medicine
    • C. Lipinski, and A. Hopkins Navigating chemical space for biology and medicine Nature 432 2004 855 861
    • (2004) Nature , vol.432 , pp. 855-861
    • Lipinski, C.1    Hopkins, A.2
  • 14
    • 23844542148 scopus 로고    scopus 로고
    • Library design for fragment based screening
    • A. Schuffenhauer Library design for fragment based screening Curr. Top. Med. Chem. 5 2005 751 762
    • (2005) Curr. Top. Med. Chem. , vol.5 , pp. 751-762
    • Schuffenhauer, A.1
  • 15
    • 33746156959 scopus 로고    scopus 로고
    • Global mapping of pharmacological space
    • G.V. Paolini Global mapping of pharmacological space Nat. Biotechnol. 24 2006 805 815
    • (2006) Nat. Biotechnol. , vol.24 , pp. 805-815
    • Paolini, G.V.1
  • 16
    • 1542268206 scopus 로고    scopus 로고
    • Selective optimization of side activities: Another way for drug discovery
    • C.G. Wermuth Selective optimization of side activities: another way for drug discovery J. Med. Chem. 47 2004 1303 1314
    • (2004) J. Med. Chem. , vol.47 , pp. 1303-1314
    • Wermuth, C.G.1
  • 17
    • 0029894013 scopus 로고    scopus 로고
    • The properties of known drugs. 1. Molecular frameworks
    • G.W. Bemis, and M.A. Murcko The properties of known drugs. 1. Molecular frameworks J. Med. Chem. 39 1996 2887 2893
    • (1996) J. Med. Chem. , vol.39 , pp. 2887-2893
    • Bemis, G.W.1    Murcko, M.A.2
  • 18
    • 0033576605 scopus 로고    scopus 로고
    • Properties of known drugs. 2. Side chains
    • G.W. Bemis, and M.A. Murcko Properties of known drugs. 2. Side chains J. Med. Chem. 42 1999 5095 5099
    • (1999) J. Med. Chem. , vol.42 , pp. 5095-5099
    • Bemis, G.W.1    Murcko, M.A.2
  • 19
    • 0033213957 scopus 로고    scopus 로고
    • The SHAPES strategy: An NMR-based approach for lead generation in drug discovery
    • J. Fejzo The SHAPES strategy: an NMR-based approach for lead generation in drug discovery Chem. Biol. 6 1999 755 769
    • (1999) Chem. Biol. , vol.6 , pp. 755-769
    • Fejzo, J.1
  • 20
    • 78650731512 scopus 로고    scopus 로고
    • Fragment-based lead discovery and optimization using the SHAPES strategy
    • C.A. Lepre Fragment-based lead discovery and optimization using the SHAPES strategy Abst. Papers Am. Chem. Soc. 230 2005 U2762 U12762
    • (2005) Abst. Papers Am. Chem. Soc. , vol.230
    • Lepre, C.A.1
  • 21
    • 0036892232 scopus 로고    scopus 로고
    • Applications of SHAPES screening in drug discovery
    • C.A. Lepre Applications of SHAPES screening in drug discovery Comb. Chem. High Throughput Screen. 5 2002 583 590
    • (2002) Comb. Chem. High Throughput Screen. , vol.5 , pp. 583-590
    • Lepre, C.A.1
  • 22
    • 0043100458 scopus 로고    scopus 로고
    • Applications of NMR SHAPES screening in drug discovery
    • J.M. Moore Applications of NMR SHAPES screening in drug discovery Abst. Papers Am. Chem. Soc. 221 2001 U38 U138
    • (2001) Abst. Papers Am. Chem. Soc. , vol.221
    • Moore, J.M.1
  • 23
    • 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. Inform. Comput. Sci. 38 1998 511 522
    • (1998) J. Chem. Inform. Comput. Sci. , vol.38 , pp. 511-522
    • Lewell, X.Q.1
  • 24
    • 0032572819 scopus 로고    scopus 로고
    • Can we learn to distinguish between 'drug-like' and 'nondrug-like' molecules?
    • Ajay Can we learn to distinguish between 'drug-like' and 'nondrug-like' molecules? J. Med. Chem. 41 1998 3314 3324
    • (1998) J. Med. Chem. , vol.41 , pp. 3314-3324
    • Ajay1
  • 25
    • 0037208308 scopus 로고    scopus 로고
    • Property distributions: Differences between drugs, natural products, and molecules from combinatorial chemistry
    • M. Feher, and J.M. Schmidt Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry J. Chem. Inform. Comput. Sci. 43 2003 218 227
    • (2003) J. Chem. Inform. Comput. Sci. , vol.43 , pp. 218-227
    • Feher, M.1    Schmidt, J.M.2
  • 26
    • 0032600640 scopus 로고    scopus 로고
    • A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases
    • A.K. Ghose A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases J. Comb. Chem. 1 1999 55 68
    • (1999) J. Comb. Chem. , vol.1 , pp. 55-68
    • Ghose, A.K.1
  • 27
    • 0032572816 scopus 로고    scopus 로고
    • A scoring scheme for discriminating between drugs and nondrugs
    • J. Sadowski, and H. Kubinyi A scoring scheme for discriminating between drugs and nondrugs J. Med. Chem. 41 1998 3325 3329
    • (1998) J. Med. Chem. , vol.41 , pp. 3325-3329
    • Sadowski, J.1    Kubinyi, H.2
  • 28
    • 0034618541 scopus 로고    scopus 로고
    • Privileged molecules for protein binding identified from NMR-based screening
    • P.J. Hajduk Privileged molecules for protein binding identified from NMR-based screening J. Med. Chem. 43 2000 3443 3447
    • (2000) J. Med. Chem. , vol.43 , pp. 3443-3447
    • Hajduk, P.J.1
  • 29
    • 54949134905 scopus 로고    scopus 로고
    • Chemical substructures that enrich for biological activity
    • J. Klekota, and F.P. Roth Chemical substructures that enrich for biological activity Bioinformatics 24 2008 2518 2525
    • (2008) Bioinformatics , vol.24 , pp. 2518-2525
    • Klekota, J.1    Roth, F.P.2
  • 30
    • 34548317031 scopus 로고    scopus 로고
    • Chemogenomic approaches to rational drug design
    • D. Rognan Chemogenomic approaches to rational drug design Br. J. Pharmacol. 152 2007 38 52
    • (2007) Br. J. Pharmacol. , vol.152 , pp. 38-52
    • Rognan, D.1
  • 31
    • 33645422011 scopus 로고    scopus 로고
    • Are target-family-privileged substructures truly privileged?
    • D.M. Schnur Are target-family-privileged substructures truly privileged? J. Med. Chem. 49 2006 2000 2009
    • (2006) J. Med. Chem. , vol.49 , pp. 2000-2009
    • Schnur, D.M.1
  • 32
    • 42949088496 scopus 로고    scopus 로고
    • Chemical fragments as foundations for understanding target space and activity prediction
    • J.J. Sutherland Chemical fragments as foundations for understanding target space and activity prediction J. Med. Chem. 51 2008 2689 2700
    • (2008) J. Med. Chem. , vol.51 , pp. 2689-2700
    • Sutherland, J.J.1
  • 33
    • 58149092163 scopus 로고    scopus 로고
    • CREDO: A protein-ligand interaction database for drug discovery
    • A. Schreyer, and T. Blundell CREDO: a protein-ligand interaction database for drug discovery Chem. Biol. Drug Des. 73 2009 157 167
    • (2009) Chem. Biol. Drug Des. , vol.73 , pp. 157-167
    • Schreyer, A.1    Blundell, T.2
  • 34
    • 77954772461 scopus 로고    scopus 로고
    • On the potential of natural products in the discovery of pharma leads: A case for reassessment
    • S. Danishefsky On the potential of natural products in the discovery of pharma leads: A case for reassessment Nat. Product Rep. 27 2010 1114 1116
    • (2010) Nat. Product Rep. , vol.27 , pp. 1114-1116
    • Danishefsky, S.1
  • 35
    • 58149128997 scopus 로고    scopus 로고
    • 'Metabolite-likeness' as a criterion in the design and selection of pharmaceutical drug libraries
    • P.D. Dobson 'Metabolite-likeness' as a criterion in the design and selection of pharmaceutical drug libraries Drug Discov. Today 14 2009 31 40
    • (2009) Drug Discov. Today , vol.14 , pp. 31-40
    • Dobson, P.D.1
  • 36
    • 11144341956 scopus 로고    scopus 로고
    • Chemical space and biology
    • C.M. Dobson Chemical space and biology Nature 432 2004 824 828
    • (2004) Nature , vol.432 , pp. 824-828
    • Dobson, C.M.1
  • 37
    • 68549132502 scopus 로고    scopus 로고
    • Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography
    • D.R. Davies Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography J. Med. Chem. 52 2009 4694 4715
    • (2009) J. Med. Chem. , vol.52 , pp. 4694-4715
    • Davies, D.R.1
  • 38
    • 33746740077 scopus 로고    scopus 로고
    • Quest for the rings. in silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds
    • P. Ertl Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds J. Med. Chem. 49 2006 4568 4573
    • (2006) J. Med. Chem. , vol.49 , pp. 4568-4573
    • Ertl, P.1
  • 39
    • 65649142070 scopus 로고    scopus 로고
    • Heteroaromatic rings of the future
    • W.R. Pitt Heteroaromatic rings of the future J. Med. Chem. 52 2009 2952 2963
    • (2009) J. Med. Chem. , vol.52 , pp. 2952-2963
    • Pitt, W.R.1
  • 40
    • 33846871027 scopus 로고    scopus 로고
    • The scaffold tree - Visualization of the scaffold universe by hierarchical scaffold classification
    • A. Schuffenhauer The scaffold tree - visualization of the scaffold universe by hierarchical scaffold classification J. Chem. Inform. Model. 47 2007 47 58
    • (2007) J. Chem. Inform. Model. , vol.47 , pp. 47-58
    • Schuffenhauer, A.1
  • 41
    • 16244388286 scopus 로고    scopus 로고
    • Virtual exploration of the small-molecule chemical universe below 160 daltons
    • T. Fink Virtual exploration of the small-molecule chemical universe below 160 daltons Angew. Chem. Int. Ed. 44 2005 1504 1508
    • (2005) Angew. Chem. Int. Ed. , vol.44 , pp. 1504-1508
    • Fink, T.1
  • 42
    • 34247194965 scopus 로고    scopus 로고
    • Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: Assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery
    • T. Fink, and J.L. Reymond Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery J. Chem. Inform. Model. 47 2007 342 353
    • (2007) J. Chem. Inform. Model. , vol.47 , pp. 342-353
    • Fink, T.1    Reymond, J.L.2
  • 43
    • 67649619336 scopus 로고    scopus 로고
    • 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13
    • L.C. Blum, and J-L. Reymond 970 million druglike small molecules for virtual screening in the chemical universe database GDB-13 J. Am. Chem. Soc. 131 2009 8732 8733
    • (2009) J. Am. Chem. Soc. , vol.131 , pp. 8732-8733
    • Blum, L.C.1    Reymond, J.-L.2
  • 44
    • 67650299761 scopus 로고    scopus 로고
    • Quantifying biogenic bias in screening libraries
    • J. Hert Quantifying biogenic bias in screening libraries Nat. Chem. Biol. 5 2009 479 483
    • (2009) Nat. Chem. Biol. , vol.5 , pp. 479-483
    • Hert, J.1
  • 45
    • 78650210591 scopus 로고    scopus 로고
    • Design of a high fragment efficiency library by molecular graph theory
    • J. Venhorst Design of a high fragment efficiency library by molecular graph theory Med. Chem. Lett. 1 2010 499 503
    • (2010) Med. Chem. Lett. , vol.1 , pp. 499-503
    • Venhorst, J.1
  • 46
    • 77956592818 scopus 로고    scopus 로고
    • Interaction kinetic and structural dynamic analysis of ligand binding to acetylcholine-binding protein
    • M. Geitmann Interaction kinetic and structural dynamic analysis of ligand binding to acetylcholine-binding protein Biochemistry 49 2010 8143 8154
    • (2010) Biochemistry , vol.49 , pp. 8143-8154
    • Geitmann, M.1
  • 47
    • 78349241041 scopus 로고    scopus 로고
    • An efficient and information rich biochemical method design for fragment library screening on ion channels
    • A.J. Thompson An efficient and information rich biochemical method design for fragment library screening on ion channels Biotechniques 49 2010 822 829
    • (2010) Biotechniques , vol.49 , pp. 822-829
    • Thompson, A.J.1
  • 48
    • 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
  • 49
    • 2942564021 scopus 로고    scopus 로고
    • Pursuing the leadlikeness concept in pharmaceutical research
    • M.M. Hann, and T.I. Oprea Pursuing the leadlikeness concept in pharmaceutical research Curr. Opin. Chem. Biol. 8 2004 255 263
    • (2004) Curr. Opin. Chem. Biol. , vol.8 , pp. 255-263
    • Hann, M.M.1    Oprea, T.I.2
  • 50
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • C.A. Lipinski Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings Adv. Drug Deliv. Rev. 23 1997 3 25
    • (1997) Adv. Drug Deliv. Rev. , vol.23 , pp. 3-25
    • Lipinski, C.A.1
  • 51
    • 0034266313 scopus 로고    scopus 로고
    • Drug-like index: A new approach to measure drug-like compounds and their diversity
    • J. Xu, and J. Stevenson Drug-like index: a new approach to measure drug-like compounds and their diversity J. Chem. Inform. Comput. Sci. 40 2000 1177 1187
    • (2000) J. Chem. Inform. Comput. Sci. , vol.40 , pp. 1177-1187
    • Xu, J.1    Stevenson, J.2
  • 52
    • 1942453243 scopus 로고    scopus 로고
    • Ligand efficiency: A useful metric for lead selection
    • A.L. Hopkins Ligand efficiency: a useful metric for lead selection Drug Discov. Today 9 2004 430 431
    • (2004) Drug Discov. Today , vol.9 , pp. 430-431
    • Hopkins, A.L.1
  • 53
    • 35748934487 scopus 로고    scopus 로고
    • The influence of drug-like concepts on decision-making in medicinal chemistry
    • P.D. Leeson, and B. Springthorpe The influence of drug-like concepts on decision-making in medicinal chemistry Nat. Rev. Drug Discov. 6 2007 881 890
    • (2007) Nat. Rev. Drug Discov. , vol.6 , pp. 881-890
    • Leeson, P.D.1    Springthorpe, B.2
  • 54
    • 54449102045 scopus 로고    scopus 로고
    • Group efficiency: A guideline for hits-to-leads chemistry
    • M.L. Verdonk, and D.C. Rees Group efficiency: a guideline for hits-to-leads chemistry Chemmedchem 3 2008 1179 1180
    • (2008) Chemmedchem , vol.3 , pp. 1179-1180
    • Verdonk, M.L.1    Rees, D.C.2
  • 55
    • 34447548576 scopus 로고    scopus 로고
    • Ligand efficiency indices for effective drug discovery
    • C. Abad-Zapatero Ligand efficiency indices for effective drug discovery Expert Opin. Drug Discov. 2 2007 469 488
    • (2007) Expert Opin. Drug Discov. , vol.2 , pp. 469-488
    • Abad-Zapatero, C.1
  • 56
    • 0029783934 scopus 로고    scopus 로고
    • Neighborhood behavior: A useful concept for validation of molecular diversity descriptors
    • D.E. Patterson Neighborhood behavior: a useful concept for validation of molecular diversity descriptors J. Med. Chem. 39 1996 3049 3059
    • (1996) J. Med. Chem. , vol.39 , pp. 3049-3059
    • Patterson, D.E.1
  • 57
    • 0037153217 scopus 로고    scopus 로고
    • A new approach to finding natural chemical structure classes
    • J. Xu A new approach to finding natural chemical structure classes J. Med. Chem. 45 2002 5311 5320
    • (2002) J. Med. Chem. , vol.45 , pp. 5311-5320
    • Xu, J.1
  • 58
    • 65249134411 scopus 로고    scopus 로고
    • Simple idea to generate fragment and pharmacophore descriptors and their implications in chemical informatics
    • C. Catana Simple idea to generate fragment and pharmacophore descriptors and their implications in chemical informatics J. Chem. Inform. Model. 49 2009 543 548
    • (2009) J. Chem. Inform. Model. , vol.49 , pp. 543-548
    • Catana, C.1
  • 59
    • 33846861552 scopus 로고    scopus 로고
    • Pharmacophoric fingerprint method (TOPP) for 3D-QSAR modeling: Application to CYP2D6 metabolic stability
    • S. Sciabola Pharmacophoric fingerprint method (TOPP) for 3D-QSAR modeling: application to CYP2D6 metabolic stability J. Chem. Inform. Model. 47 2007 76 84
    • (2007) J. Chem. Inform. Model. , vol.47 , pp. 76-84
    • Sciabola, S.1
  • 60
    • 36349009372 scopus 로고    scopus 로고
    • Ultrafast shape recognition for similarity search in molecular databases
    • P.J. Ballester, and W.G. Richards Ultrafast shape recognition for similarity search in molecular databases Proc. R. Soc. A: Math. Phys. Eng. Sci. 463 2007 1307 1321
    • (2007) Proc. R. Soc. A: Math. Phys. Eng. Sci. , vol.463 , pp. 1307-1321
    • Ballester, P.J.1    Richards, W.G.2
  • 61
    • 20444388307 scopus 로고    scopus 로고
    • Small molecule shape-fingerprints
    • J.A. Haigh Small molecule shape-fingerprints J. Chem. Inform. Model. 45 2005 673 684
    • (2005) J. Chem. Inform. Model. , vol.45 , pp. 673-684
    • Haigh, J.A.1
  • 62
    • 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. Inform. Comput. Sci. 41 2001 856 864
    • (2001) J. Chem. Inform. Comput. Sci. , vol.41 , pp. 856-864
    • Hann, M.M.1
  • 63
    • 33747595638 scopus 로고    scopus 로고
    • Fragment screening: An introduction
    • A.R. Leach Fragment screening: an introduction Mol. Biosyst. 2 2006 430 446
    • (2006) Mol. Biosyst. , vol.2 , pp. 430-446
    • Leach, A.R.1
  • 64
    • 33751076241 scopus 로고    scopus 로고
    • Deconstructing fragment-based inhibitor discovery
    • K. Babaoglu, and B.K. Shoichet Deconstructing fragment-based inhibitor discovery Nat. Chem. Biol. 2 2006 720 723
    • (2006) Nat. Chem. Biol. , vol.2 , pp. 720-723
    • Babaoglu, K.1    Shoichet, B.K.2
  • 65
    • 67650754042 scopus 로고    scopus 로고
    • One scaffold, three binding modes: Novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening
    • C.P. Mpamhanga One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening J. Med. Chem. 52 2009 4454 4465
    • (2009) J. Med. Chem. , vol.52 , pp. 4454-4465
    • Mpamhanga, C.P.1
  • 66
    • 42949149240 scopus 로고    scopus 로고
    • Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity
    • J. Tsai Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity Proc. Natl. Acad. Sci. U. S. A. 105 2008 3041 3046
    • (2008) Proc. Natl. Acad. Sci. U. S. A. , vol.105 , pp. 3041-3046
    • Tsai, J.1
  • 67
    • 42949178113 scopus 로고    scopus 로고
    • Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors
    • S.S. Antonysamy Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors Bioorg. Med. Chem. Lett. 18 2008 2990 2995
    • (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 2990-2995
    • Antonysamy, S.S.1
  • 68
    • 49949151887 scopus 로고    scopus 로고
    • Molecular diversity in the context of leadlikeness: Compound properties that enable effective biochemical screening
    • G.M. Rishton Molecular diversity in the context of leadlikeness: compound properties that enable effective biochemical screening Curr. Opin. Chem. Biol. 12 2008 340 351
    • (2008) Curr. Opin. Chem. Biol. , vol.12 , pp. 340-351
    • Rishton, G.M.1
  • 69
    • 85058905883 scopus 로고    scopus 로고
    • The heat is on: Thermodynamic analysis in fragment-based drug discovery
    • this issue
    • Edink, E.S. et al. The heat is on: thermodynamic analysis in fragment-based drug discovery. Drug Discov. Today Technol. (this issue)
    • Drug Discov. Today Technol.
    • Edink, E.S.1
  • 70
    • 73449087370 scopus 로고    scopus 로고
    • Thermodynamic optimisation in drug discovery: A case study using carbonic anhydrase inhibitors
    • A.D. Scott Thermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitors Chemmedchem 4 2009 1985 1989
    • (2009) Chemmedchem , vol.4 , pp. 1985-1989
    • Scott, A.D.1
  • 71
  • 72
    • 33846574259 scopus 로고    scopus 로고
    • Fragments, network biology and designing multiple ligands
    • R. Morphy, and Z. Rankovic Fragments, network biology and designing multiple ligands Drug Discov. Today 12 2007 156 160
    • (2007) Drug Discov. Today , vol.12 , pp. 156-160
    • Morphy, R.1    Rankovic, Z.2
  • 73
    • 54249155522 scopus 로고    scopus 로고
    • Network pharmacology: The next paradigm in drug discovery
    • A.L. Hopkins Network pharmacology: the next paradigm in drug discovery Nat. Chem. Biol. 4 2008 682 690
    • (2008) Nat. Chem. Biol. , vol.4 , pp. 682-690
    • Hopkins, A.L.1
  • 74
    • 66149158600 scopus 로고    scopus 로고
    • Docking for fragment inhibitors of AmpC beta-lactamase
    • D.G. Teotico Docking for fragment inhibitors of AmpC beta-lactamase Proc. Natl. Acad. Sci. U. S. A. 106 2009 7455 7460
    • (2009) Proc. Natl. Acad. Sci. U. S. A. , vol.106 , pp. 7455-7460
    • Teotico, D.G.1
  • 75
    • 41149145121 scopus 로고    scopus 로고
    • Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors
    • H.T. Ji Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors J. Am. Chem. Soc. 130 2008 3900 3914
    • (2008) J. Am. Chem. Soc. , vol.130 , pp. 3900-3914
    • Ji, H.T.1
  • 76
    • 10044246303 scopus 로고    scopus 로고
    • Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets
    • N. Baurin Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets J. Chem. Inform. Comput. Sci. 44 2004 2157 2166
    • (2004) J. Chem. Inform. Comput. Sci. , vol.44 , pp. 2157-2166
    • Baurin, N.1
  • 77
    • 67650999672 scopus 로고    scopus 로고
    • Lessons for fragment library design: Analysis of output from multiple screening campaigns
    • I.J. Chen, and R. Hubbard Lessons for fragment library design: analysis of output from multiple screening campaigns J. Comput. Aid. Mol. Des. 23 2009 603 620
    • (2009) J. Comput. Aid. Mol. Des. , vol.23 , pp. 603-620
    • Chen, I.J.1    Hubbard, R.2
  • 78
    • 31544467109 scopus 로고    scopus 로고
    • Discovery of a potent inhibitor of the antiapoptotic protein Bcl-x(L) from NMR and parallel synthesis
    • A.M. Petros Discovery of a potent inhibitor of the antiapoptotic protein Bcl-x(L) from NMR and parallel synthesis J. Med. Chem. 49 2006 656 663
    • (2006) J. Med. Chem. , vol.49 , pp. 656-663
    • Petros, A.M.1
  • 79
    • 36248944181 scopus 로고    scopus 로고
    • An integrated approach to fragment-based lead generation: Philosophy, strategy and case studies from AstraZeneca's drug discovery programmes
    • J.S. Albert An integrated approach to fragment-based lead generation: philosophy, strategy and case studies from AstraZeneca's drug discovery programmes Curr. Top. Med. Chem. 7 2007 1600 1629
    • (2007) Curr. Top. Med. Chem. , vol.7 , pp. 1600-1629
    • Albert, J.S.1
  • 80
    • 20844437061 scopus 로고    scopus 로고
    • A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
    • G.L. Card A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat. Biotechnol. 23 2005 201 207
    • (2005) Nat. Biotechnol. , vol.23 , pp. 201-207
    • Card, G.L.1
  • 81
    • 39049094722 scopus 로고    scopus 로고
    • Tyramine fragment binding to BACE-1
    • A. Kuglstatter Tyramine fragment binding to BACE-1 Bioorg. Med. Chem. Lett. 18 2008 1304 1307
    • (2008) Bioorg. Med. Chem. Lett. , vol.18 , pp. 1304-1307
    • Kuglstatter, A.1
  • 82
    • 77249094569 scopus 로고    scopus 로고
    • Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors
    • Y-S. Wang Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors J. Med. Chem. 53 2009 942 950
    • (2009) J. Med. Chem. , vol.53 , pp. 942-950
    • Wang, Y.-S.1
  • 83
    • 33644508229 scopus 로고    scopus 로고
    • Application of FAST (TM) fragment-based lead discovery and structure-guided design to discovery of small molecule inhibitors of BCR-ABL tyrosine kinase active against the T315I imatinib-resistant mutant
    • S.K. Burley Application of FAST (TM) fragment-based lead discovery and structure-guided design to discovery of small molecule inhibitors of BCR-ABL tyrosine kinase active against the T315I imatinib-resistant mutant Blood 106 2005 206a
    • (2005) Blood , vol.106
    • Burley, S.K.1
  • 84
    • 11144354973 scopus 로고    scopus 로고
    • Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds
    • N. Baurin Drug-like annotation and duplicate analysis of a 23-supplier chemical database totalling 2.7 million compounds J. Chem. Inform. Comput. Sci. 44 2004 643 651
    • (2004) J. Chem. Inform. Comput. Sci. , vol.44 , pp. 643-651
    • Baurin, N.1
  • 85
    • 0035252844 scopus 로고    scopus 로고
    • Library design for NMR-based screening
    • C.A. Lepre Library design for NMR-based screening Drug Discov. Today 6 2001 133 140
    • (2001) Drug Discov. Today , vol.6 , pp. 133-140
    • Lepre, C.A.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.