메뉴 건너뛰기




Volumn 51, Issue 8, 2008, Pages 2468-2480

Similarity searching and scaffold hopping in synthetically accessible combinatorial chemistry spaces

Author keywords

[No Author keywords available]

Indexed keywords

GLYCYCLAMIDE; GRANISETRON; SULFONYLUREA DERIVATIVE;

EID: 43049096782     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm0707727     Document Type: Article
Times cited : (83)

References (103)
  • 2
    • 21444453119 scopus 로고    scopus 로고
    • High-throughput screening-driven lead discovery: Meeting the challenges of finding new therapeutics
    • Posner, B. A. High-throughput screening-driven lead discovery: meeting the challenges of finding new therapeutics. Curr. Opin. Drug Discov. Devel. 2005, 8, 487-94.
    • (2005) Curr. Opin. Drug Discov. Devel , vol.8 , pp. 487-494
    • Posner, B.A.1
  • 4
    • 0032872173 scopus 로고    scopus 로고
    • How many leads from HTS?
    • Lahana, R. How many leads from HTS? Drug Discov. Today 1999, 4, 447-448.
    • (1999) Drug Discov. Today , vol.4 , pp. 447-448
    • Lahana, R.1
  • 5
    • 0033953576 scopus 로고    scopus 로고
    • How many leads from HTS? - Comment
    • Ramesha, C. S. How many leads from HTS? - Comment. Drug Discov. Today 2000, 5, 43-44.
    • (2000) Drug Discov. Today , vol.5 , pp. 43-44
    • Ramesha, C.S.1
  • 6
    • 33748872333 scopus 로고    scopus 로고
    • Carnero, A. High throughput screening in drug discovery. Clin. Transl. Oncol. 2006, 8, 482-90.
    • Carnero, A. High throughput screening in drug discovery. Clin. Transl. Oncol. 2006, 8, 482-90.
  • 7
    • 43049108912 scopus 로고    scopus 로고
    • Ratner, M. L. File Enrichment: The Way Out of Pharma's Productivity Crisis? In Start-Up; Windhover Information, Inc: Norwalk, CT. 2002.
    • Ratner, M. L. File Enrichment: The Way Out of Pharma's Productivity Crisis? In Start-Up; Windhover Information, Inc: Norwalk, CT. 2002.
  • 8
    • 1642401467 scopus 로고    scopus 로고
    • Pharmaceutical productivity: The imperative for new paradigms
    • Academic Press: New York, Chapter 35, pp
    • Milne, G. M. Pharmaceutical productivity: the imperative for new paradigms. In Annual Reports in Medicinal Chemistry; Academic Press: New York. 2003; Vol. 38. Chapter 35, pp 383-396.
    • (2003) Annual Reports in Medicinal Chemistry , vol.38 , pp. 383-396
    • Milne, G.M.1
  • 9
    • 43049124886 scopus 로고    scopus 로고
    • Estep, K. File Enrichment and Hit Follow Up: Evolution and Examples. In ALA LabFusion; Boston, MA. 2004.
    • Estep, K. File Enrichment and Hit Follow Up: Evolution and Examples. In ALA LabFusion; Boston, MA. 2004.
  • 10
    • 43049111512 scopus 로고    scopus 로고
    • Enabling HTS Hit Follow up via Chcmoinformatics, File-Enrichment and Outsourcing
    • MMS Conferencing & Events Ltd, Institute of Physics: London
    • Smith, G. F. Enabling HTS Hit Follow up via Chcmoinformatics, File-Enrichment and Outsourcing. In High Throughput Medicinal Chemisirv II; MMS Conferencing & Events Ltd., Institute of Physics: London, 2006.
    • (2006) High Throughput Medicinal Chemisirv II
    • Smith, G.F.1
  • 11
    • 33745743541 scopus 로고    scopus 로고
    • Improving Efficiency. To eliminate R&D bottlenecks, drug companies are evaluating all phases of discovery and development and are using novel approaches to speed them up
    • Borman, S. Improving Efficiency. To eliminate R&D bottlenecks, drug companies are evaluating all phases of discovery and development and are using novel approaches to speed them up. Chem. Eng. News 2006, 84, 56-78.
    • (2006) Chem. Eng. News , vol.84 , pp. 56-78
    • Borman, S.1
  • 12
    • 11144341956 scopus 로고    scopus 로고
    • Chemical space and biology
    • Dohson, C. M. Chemical space and biology. Nature 2004, 432, 824-8.
    • (2004) Nature , vol.432 , pp. 824-828
    • Dohson, C.M.1
  • 13
    • 11144320699 scopus 로고    scopus 로고
    • Navigating chemical space for biology and medicine
    • Lipinski, C.; Hopkins, A. Navigating chemical space for biology and medicine. Nature 2004, 432, 855-61.
    • (2004) Nature , vol.432 , pp. 855-861
    • Lipinski, C.1    Hopkins, A.2
  • 15
    • 33644861784 scopus 로고    scopus 로고
    • Gorse, A. D. Diversity in medicinal chemistry space. Curr. Top. Med. Chem. 2006, 6, 3-18.
    • Gorse, A. D. Diversity in medicinal chemistry space. Curr. Top. Med. Chem. 2006, 6, 3-18.
  • 16
    • 0031024171 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. 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
  • 17
    • 0346881618 scopus 로고    scopus 로고
    • Library design practices for success in lead generation with small molecule libraries
    • Goodnow, R. A.; Guba, W.; Haap, W. Library design practices for success in lead generation with small molecule libraries. Comb. Chem. High Throughput Screen, 2003, 6, 649-60.
    • (2003) Comb. Chem. High Throughput Screen , vol.6 , pp. 649-660
    • Goodnow, R.A.1    Guba, W.2    Haap, W.3
  • 18
    • 0037861156 scopus 로고    scopus 로고
    • Computational design strategies for combinatorial libraries
    • Rose, S.; Stevens, A. Computational design strategies for combinatorial libraries. Curr. Opin. Chem. Biol. 2003, 7, 331-9.
    • (2003) Curr. Opin. Chem. Biol , vol.7 , pp. 331-339
    • Rose, S.1    Stevens, A.2
  • 19
    • 4043074225 scopus 로고    scopus 로고
    • Design of diversity and focused combinatorial libraries in drug discovery
    • Young, S. S.; Ge, N. Design of diversity and focused combinatorial libraries in drug discovery. Curr. Opin. Drug Discov. Devel. 2004, 7, 318-24.
    • (2004) Curr. Opin. Drug Discov. Devel , vol.7 , pp. 318-324
    • Young, S.S.1    Ge, N.2
  • 21
    • 33646242741 scopus 로고    scopus 로고
    • Assessing the scaffold diversity of screening libraries
    • Krier, M.; Bret, G.; Rognan, D. Assessing the scaffold diversity of screening libraries. J. Chem. Inf. Model. 2006, 46, 512-24.
    • (2006) J. Chem. Inf. Model , vol.46 , pp. 512-524
    • Krier, M.1    Bret, G.2    Rognan, D.3
  • 24
    • 11144323163 scopus 로고    scopus 로고
    • Virtual screening of chemical libraries
    • Shoichet, B. K. Virtual screening of chemical libraries. Nature 2004, 432, 862-5.
    • (2004) Nature , vol.432 , pp. 862-865
    • Shoichet, B.K.1
  • 26
    • 33746171676 scopus 로고    scopus 로고
    • Current status of virtual screening us analysed by target class
    • Stoermer, M. J. Current status of virtual screening us analysed by target class. Med. Chem. 2006, 2, 89-112.
    • (2006) Med. Chem , vol.2 , pp. 89-112
    • Stoermer, M.J.1
  • 27
    • 33745199815 scopus 로고    scopus 로고
    • Virtual ligand screening: Strategics, perspectives and limitations
    • Klebe, G. Virtual ligand screening: strategics, perspectives and limitations. Drug Discov. Today 2006, 11, 580-94.
    • (2006) Drug Discov. Today , vol.11 , pp. 580-594
    • Klebe, G.1
  • 28
  • 29
    • 0034065350 scopus 로고    scopus 로고
    • Computational methods for the structural alignment of molecules
    • Lemmen, C.; Lengauer, T. Computational methods for the structural alignment of molecules. J. Comput. Aided Mol. Des. 2000, 14, 215-32.
    • (2000) J. Comput. Aided Mol. Des , vol.14 , pp. 215-232
    • Lemmen, C.1    Lengauer, T.2
  • 30
    • 10344230435 scopus 로고    scopus 로고
    • Molecular similarity: A key technique in molecular informatics
    • Bender, A.; Glen, R. C. Molecular similarity: a key technique in molecular informatics. Org. Biomol. Chem. 2004, 2, 3204-18.
    • (2004) Org. Biomol. Chem , vol.2 , pp. 3204-3218
    • Bender, A.1    Glen, R.C.2
  • 31
    • 33751246188 scopus 로고    scopus 로고
    • Similarity-based virtual screening using 2D fingerprints
    • Willett, P. Similarity-based virtual screening using 2D fingerprints. Drug Discov. Today 2006, 11, 1046-53.
    • (2006) Drug Discov. Today , vol.11 , pp. 1046-1053
    • Willett, P.1
  • 32
    • 0030534377 scopus 로고    scopus 로고
    • Similarity Searching in Databases of Chemical Structures
    • Kenny B. Lipkowitz, D. B. B, Ed, Wiley-VCH: Hoboken, NJ
    • Downs, G. M.; Willett, P. Similarity Searching in Databases of Chemical Structures. In Reviews in Computational Chemistry; Kenny B. Lipkowitz, D. B. B., Ed.; Wiley-VCH: Hoboken, NJ. 2007; pp 1-66.
    • (2007) Reviews in Computational Chemistry , pp. 1-66
    • Downs, G.M.1    Willett, P.2
  • 33
    • 33847207834 scopus 로고    scopus 로고
    • Molecular similarity analysis in virtual screening: Foundations, limitations and novel approaches
    • Eckert, H.; Bajorath, J. Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches. Drug Discov. Today 2007, 12, 225-33.
    • (2007) Drug Discov. Today , vol.12 , pp. 225-233
    • Eckert, H.1    Bajorath, J.2
  • 35
    • 0000892020 scopus 로고    scopus 로고
    • Clustering of large databases of compounds: Using MDL "Keys" as structural descriptors
    • McGregor, M. J.; Pallai, P. V. Clustering of large databases of compounds: using MDL "Keys" as structural descriptors. J. Chem. Inf. Model. 1997, 37, 443-8.
    • (1997) J. Chem. Inf. Model , vol.37 , pp. 443-448
    • McGregor, M.J.1    Pallai, P.V.2
  • 37
    • 0033127029 scopus 로고    scopus 로고
    • Pharmacophore fingerprinting. I. Application to QSAR and focused library design
    • McGregor, M. J.; Muskal, S. M. Pharmacophore fingerprinting. I. Application to QSAR and focused library design. J. Chem. Inf. Model. 1999, 39, 569-74.
    • (1999) J. Chem. Inf. Model , vol.39 , pp. 569-574
    • McGregor, M.J.1    Muskal, S.M.2
  • 38
    • 0033643235 scopus 로고    scopus 로고
    • Searching for molecules with similar biological activity: Analysis by fingerprint profiling
    • Godden, J. W.; Xuc, L.; Stahura, F. L.; Bajorath, J. Searching for molecules with similar biological activity: analysis by fingerprint profiling. Pac. Symp. Biocomput. 2000, 566-75.
    • (2000) Pac. Symp. Biocomput , pp. 566-575
    • Godden, J.W.1    Xuc, L.2    Stahura, F.L.3    Bajorath, J.4
  • 39
    • 0034130399 scopus 로고    scopus 로고
    • De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks
    • Schneider, G.; Lee, M. L.; Stahl, M.; Schneider, P. De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks. J. Comput. Aided Mol. Des. 2000, 14, 487-94.
    • (2000) J. Comput. Aided Mol. Des , vol.14 , pp. 487-494
    • Schneider, G.1    Lee, M.L.2    Stahl, M.3    Schneider, P.4
  • 40
    • 3242693196 scopus 로고    scopus 로고
    • Virtual combinatorial chemistry and in silico screening: Efficient tools for lead structure discovery
    • Langer, T.; Wolber, G. Virtual combinatorial chemistry and in silico screening: Efficient tools for lead structure discovery. Pure Appl. Chem. 2004, 76, 991-996.
    • (2004) Pure Appl. Chem , vol.76 , pp. 991-996
    • Langer, T.1    Wolber, G.2
  • 41
  • 42
    • 0033598416 scopus 로고    scopus 로고
    • Prospective identification of biologically active structures by topomer shape similarity searching
    • Cramer, R. D.; Poss, M. A.; Hermsmeier, M. A.; Caulfield, T. J.; Kowala, M. C.; Valentine, M. T. Prospective identification of biologically active structures by topomer shape similarity searching. J. Med. Chem. 1999, 42, 3919-33.
    • (1999) J. Med. Chem , vol.42 , pp. 3919-3933
    • Cramer, R.D.1    Poss, M.A.2    Hermsmeier, M.A.3    Caulfield, T.J.4    Kowala, M.C.5    Valentine, M.T.6
  • 43
    • 0034035557 scopus 로고    scopus 로고
    • Toward general methods of targeted library design: Topomer shape similarity searching with diverse structures as queries
    • Andrews, K. M.; Cramer, R. D. Toward general methods of targeted library design: topomer shape similarity searching with diverse structures as queries. J. Med. Chem. 2000, 43, 1723-40.
    • (2000) J. Med. Chem , vol.43 , pp. 1723-1740
    • Andrews, K.M.1    Cramer, R.D.2
  • 45
    • 0034351499 scopus 로고    scopus 로고
    • Use of Mnrkush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries
    • Barnard, J. M.; Downs, G. M.; von Scholley-Pfab, A.; Brown, R. D. Use of Mnrkush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries. J. Mol. Graph Model. 2000, 18, 452-63.
    • (2000) J. Mol. Graph Model , vol.18 , pp. 452-463
    • Barnard, J.M.1    Downs, G.M.2    von Scholley-Pfab, A.3    Brown, R.D.4
  • 46
    • 0032149905 scopus 로고    scopus 로고
    • Feature trees: A new molecular similarity measure based on tree matching
    • Rarey, M.; Dixon, J. S. Feature trees: a new molecular similarity measure based on tree matching. J. Comput. Aided Mol. Des. 1998, 12, 471-90.
    • (1998) J. Comput. Aided Mol. Des , vol.12 , pp. 471-490
    • Rarey, M.1    Dixon, J.S.2
  • 47
    • 0034923575 scopus 로고    scopus 로고
    • Similarity searching in large combinatorial chemistry spaces
    • Rarey, M.; Stahl, M. Similarity searching in large combinatorial chemistry spaces. J. Comput. Aided Mol. Des. 2001, 15, 497-520.
    • (2001) J. Comput. Aided Mol. Des , vol.15 , pp. 497-520
    • Rarey, M.1    Stahl, M.2
  • 48
    • 34547704655 scopus 로고    scopus 로고
    • Feature Trees: Theory and Applications from Large-scale Virtual Screening to Data Analysis
    • Thierry Lunger, R. D. H, Ed, Wiley-VCH: Weinheim, Germany
    • Rarey, M.; Hindle, S.; Maass, P.; Metz, G.; Rummey, C.; Zimmermann, M. Feature Trees: Theory and Applications from Large-scale Virtual Screening to Data Analysis. In Pharmacophores and Pharmacophore Searches. Thierry Lunger, R. D. H., Ed.; Wiley-VCH: Weinheim, Germany, 2006; pp 81-116.
    • (2006) Pharmacophores and Pharmacophore Searches , pp. 81-116
    • Rarey, M.1    Hindle, S.2    Maass, P.3    Metz, G.4    Rummey, C.5    Zimmermann, M.6
  • 49
    • 11144222535 scopus 로고    scopus 로고
    • Lead hopping. Validation of topomer similarity as a superior predictor of similar biological activities
    • Cramer, R. D.; Jilek, R. J.; Guessregen, S.; Clark, S. J.; Wendt, B.; Clark, R. D. "Lead hopping. Validation of topomer similarity as a superior predictor of similar biological activities. J. Med. Chem. 2004, 47, 6777-91.
    • (2004) J. Med. Chem , vol.47 , pp. 6777-6791
    • Cramer, R.D.1    Jilek, R.J.2    Guessregen, S.3    Clark, S.J.4    Wendt, B.5    Clark, R.D.6
  • 50
    • 20844436604 scopus 로고    scopus 로고
    • Measuring CAMD technique performance: A virtual screening case study in the design of validation experiments
    • Good, A. C.; Hermsmeicr, M. A.; Hindle, S. A. Measuring CAMD technique performance: a virtual screening case study in the design of validation experiments. J. Comput. Aided Mol. Des. 2004, 18, 529-36.
    • (2004) J. Comput. Aided Mol. Des , vol.18 , pp. 529-536
    • Good, A.C.1    Hermsmeicr, M.A.2    Hindle, S.A.3
  • 51
    • 23944454816 scopus 로고    scopus 로고
    • Virtual screening of biogenic amine-binding G-protein coupled receptors: Comparative evaluation of protein- and ligand-based virtual screening protocols
    • Evers, A.; Hessler, G.; Matter, H.; Klabunde, T. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols. J. Med. Chem. 2005, 48, 5448-65.
    • (2005) J. Med. Chem , vol.48 , pp. 5448-5465
    • Evers, A.1    Hessler, G.2    Matter, H.3    Klabunde, T.4
  • 52
  • 54
    • 33646493006 scopus 로고    scopus 로고
    • Scaffold-hopping potential of ligand-based similarity concepts
    • Renner, S.; Schneider, G. Scaffold-hopping potential of ligand-based similarity concepts. Chem. Med. Chem. 2006, 1, 181-5.
    • (2006) Chem. Med. Chem , vol.1 , pp. 181-185
    • Renner, S.1    Schneider, G.2
  • 55
    • 33646261627 scopus 로고    scopus 로고
    • A knowledge-based weighting approach to ligand-based virtual screening
    • Stiefl, N.; Zaliani, A. A knowledge-based weighting approach to ligand-based virtual screening. J. Chem. Inf. Model. 2006, 46, 587-96.
    • (2006) J. Chem. Inf. Model , vol.46 , pp. 587-596
    • Stiefl, N.1    Zaliani, A.2
  • 56
    • 33644862638 scopus 로고    scopus 로고
    • Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: Ranking, voting, and consensus scoring
    • Zhang, Q.; Muegge, I. Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: ranking, voting, and consensus scoring. J. Med. Chem. 2006, 49, 1536-48.
    • (2006) J. Med. Chem , vol.49 , pp. 1536-1548
    • Zhang, Q.1    Muegge, I.2
  • 57
    • 34250205540 scopus 로고    scopus 로고
    • Bergmann, R.; Linusson, A.; Zamora, I. SHOP: Scaffold HOPping by GRID-Based Similarity Searches. J. Med. Chem. 2007.
    • Bergmann, R.; Linusson, A.; Zamora, I. SHOP: Scaffold HOPping by GRID-Based Similarity Searches. J. Med. Chem. 2007.
  • 58
    • 33846694819 scopus 로고    scopus 로고
    • Scaffold selection and scaffold hopping in lead generation: A medicinal chemistry perspective
    • Zhao, H. Scaffold selection and scaffold hopping in lead generation: a medicinal chemistry perspective. Drug Discov. Today 2007, 12, 149-55.
    • (2007) Drug Discov. Today , vol.12 , pp. 149-155
    • Zhao, H.1
  • 59
    • 34247250737 scopus 로고    scopus 로고
    • Chemical Fragment Spaces for de novo Design
    • Mauser, H.; Stahl, M. Chemical Fragment Spaces for de novo Design. J. Chem. Inf. Model. 2007, 47, 318-24.
    • (2007) J. Chem. Inf. Model , vol.47 , pp. 318-324
    • Mauser, H.1    Stahl, M.2
  • 60
    • 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. Model. 1998, 38, 511-22.
    • (1998) J. Chem. Inf. Model , vol.38 , pp. 511-522
    • Lewell, X.Q.1    Judd, D.B.2    Watson, S.P.3    Hann, M.M.4
  • 61
    • 0012099309 scopus 로고    scopus 로고
    • WDI
    • WDI. World Drug Index. http://scientific.thomson.com/products/wdi/.
    • World Drug Index
  • 63
    • 43049090231 scopus 로고    scopus 로고
    • SciTegic. SciTegic Inc., http://www.scitegic.com/.
    • SciTegic Inc
  • 64
    • 0015966032 scopus 로고
    • Experimental antileukemic agents. Coralyne, analogs, and related compounds
    • Zee-Cheng, K. Y.; Pauli, K. D.; Cheng, C. C. Experimental antileukemic agents. Coralyne, analogs, and related compounds. J. Med. Chem. 1974, 17, 347-51.
    • (1974) J. Med. Chem , vol.17 , pp. 347-351
    • Zee-Cheng, K.Y.1    Pauli, K.D.2    Cheng, C.C.3
  • 65
    • 43049095295 scopus 로고    scopus 로고
    • Preparation of quinazolines as antitumor agents
    • WO 2000056720, Parker Hughes Institute. St. Paul, MN
    • Uckun, F. M.; Liu, X.-p.; Narla, R. K. Preparation of quinazolines as antitumor agents. WO 2000056720, 2000; Parker Hughes Institute. St. Paul, MN.
    • (2000)
    • Uckun, F.M.1    Liu, X.-P.2    Narla, R.K.3
  • 66
    • 43049095817 scopus 로고    scopus 로고
    • Preparation of quinazolines for micellar pharmaceuticals for treatment of allergy and cancer
    • WO 2000056338, Parker Hughes Institute, St. Paul, MN
    • Yiv, S.; Li, M.; Uckun, F. M. Preparation of quinazolines for micellar pharmaceuticals for treatment of allergy and cancer. WO 2000056338. 2000; Parker Hughes Institute, St. Paul, MN.
    • (2000)
    • Yiv, S.1    Li, M.2    Uckun, F.M.3
  • 67
    • 0036748333 scopus 로고    scopus 로고
    • Gebhardt, K.; Schimana, J.; Krastel, P.; Dettner, K.; Rheinheimer, J.; Zeeck, A.; Fiedler, H. P. Endophcnazines A - D, new phenazine antibiotics from the arthropod associated endosymbiont Streptomyces anulatus. l. Taxonomy, fermentation, isolation and biological activities. J. Antibiot. 2002, 55, 794-800.
    • Gebhardt, K.; Schimana, J.; Krastel, P.; Dettner, K.; Rheinheimer, J.; Zeeck, A.; Fiedler, H. P. Endophcnazines A - D, new phenazine antibiotics from the arthropod associated endosymbiont Streptomyces anulatus. l. Taxonomy, fermentation, isolation and biological activities. J. Antibiot. 2002, 55, 794-800.
  • 68
    • 0036749124 scopus 로고    scopus 로고
    • Endophcnazincs A-D, new phenazine antibiotics from the athropod associated endosymbiont Streptomyces anulatus II. Structure elucidation
    • Krastel, P.; Zeeck, A.; Gebhardt, K.; Fiedler, H. P.; Rheinheimer, J. Endophcnazincs A-D, new phenazine antibiotics from the athropod associated endosymbiont Streptomyces anulatus II. Structure elucidation. J. Antibiot. 2002, 55, 801-6.
    • (2002) J. Antibiot , vol.55 , pp. 801-806
    • Krastel, P.1    Zeeck, A.2    Gebhardt, K.3    Fiedler, H.P.4    Rheinheimer, J.5
  • 69
    • 33644901060 scopus 로고    scopus 로고
    • Parallel synthesis of an indole-based library via an iterative Mannich reaction sequence
    • Lindquist, C.; Ersoy, O.; Somfai, P. Parallel synthesis of an indole-based library via an iterative Mannich reaction sequence. Tetrahedron 2006, 62, 3439-3445.
    • (2006) Tetrahedron , vol.62 , pp. 3439-3445
    • Lindquist, C.1    Ersoy, O.2    Somfai, P.3
  • 70
    • 37049041657 scopus 로고
    • Alkaloids of Physostigma Venenosum. Iv. The Synthesis of Eseramine
    • Robinson, B. Alkaloids of Physostigma Venenosum. Iv. The Synthesis of Eseramine. J. Chem. Soc. 1965, 33, 3336-9.
    • (1965) J. Chem. Soc , vol.33 , pp. 3336-3339
    • Robinson, B.1
  • 71
    • 0024207217 scopus 로고
    • Synthesis and anticholinesterase activity of (-)-Nl-norphysostigmine. (-)-eseramine, and other N(l)-substituted analogues of (-)-physnstigmine
    • Yu, Q. S.; Atack, J. R.; Rapoport, S. I.; Brossi, A. Synthesis and anticholinesterase activity of (-)-Nl-norphysostigmine. (-)-eseramine, and other N(l)-substituted analogues of (-)-physnstigmine. J. Med. Chem. 1988, 31, 2297-300.
    • (1988) J. Med. Chem , vol.31 , pp. 2297-2300
    • Yu, Q.S.1    Atack, J.R.2    Rapoport, S.I.3    Brossi, A.4
  • 73
    • 0342464848 scopus 로고
    • Research in the indole series. XVI. 2-Aryltryptamines and homologous amines
    • Julia, M.; Melamed, R.; Gombert, R. Research in the indole series. XVI. 2-Aryltryptamines and homologous amines. Ann. Inst. Pasteur 1965, 109, 343-62.
    • (1965) Ann. Inst. Pasteur , vol.109 , pp. 343-362
    • Julia, M.1    Melamed, R.2    Gombert, R.3
  • 74
    • 37049120785 scopus 로고
    • Aminoalkylation of metal derivatives of indole. II. Coupling of indolylmagnesium iodides with haloalkylamines
    • Ganellin, C. R.; Hollyman, D. R.; Ridley, H. F. Aminoalkylation of metal derivatives of indole. II. Coupling of indolylmagnesium iodides with haloalkylamines. J. Chem. Soc. C 1967, 2220-5.
    • (1967) J. Chem. Soc. C , pp. 2220-2225
    • Ganellin, C.R.1    Hollyman, D.R.2    Ridley, H.F.3
  • 75
    • 43049113960 scopus 로고
    • Quinazolinones for treating coccidiosis
    • US 3320124, American Cyanamid Co
    • Waletzky, E.; Berkelhammer, G.; Kantor, S. Quinazolinones for treating coccidiosis. US 3320124, 1967; American Cyanamid Co.
    • (1967)
    • Waletzky, E.1    Berkelhammer, G.2    Kantor, S.3
  • 77
    • 33644979347 scopus 로고
    • Orphenadrine in the treatment of depression: A preliminary study
    • Robitscher, J. B.; Pulver, S. E. Orphenadrine in the treatment of depression: a preliminary study. Am. J. Psychiatry 1958, 114, 1113-5.
    • (1958) Am. J. Psychiatry , vol.114 , pp. 1113-1115
    • Robitscher, J.B.1    Pulver, S.E.2
  • 78
    • 0023510869 scopus 로고
    • The musearinic antagonists aprophen and benactyzine are noncompetitive inhibitors of the nicotinic acetylcholine receptor
    • Amitai, G.; Herz, J. M.; Bruckstein, R.; Luz-Chapman, S. The musearinic antagonists aprophen and benactyzine are noncompetitive inhibitors of the nicotinic acetylcholine receptor. Mol. Pharmacol. 1987, 32, 678-85.
    • (1987) Mol. Pharmacol , vol.32 , pp. 678-685
    • Amitai, G.1    Herz, J.M.2    Bruckstein, R.3    Luz-Chapman, S.4
  • 79
    • 0026613543 scopus 로고
    • Affinity and selectivity at M2 and M3 muscarinic receptor subtypes of cyclic and open oxygenated analogs of 4-DAMP
    • Tumiatti, V.; Recanatini, M.; Minarini, A.; Melchiorre, C.; Chiarini, A.; Budriesi, R.; Bolognesi, M. L. Affinity and selectivity at M2 and M3 muscarinic receptor subtypes of cyclic and open oxygenated analogs of 4-DAMP. Farmaco 1992, 47, 1133-47.
    • (1992) Farmaco , vol.47 , pp. 1133-1147
    • Tumiatti, V.1    Recanatini, M.2    Minarini, A.3    Melchiorre, C.4    Chiarini, A.5    Budriesi, R.6    Bolognesi, M.L.7
  • 82
    • 37049040425 scopus 로고
    • Formation of cyclic lactams from derivatives of basic amino acids
    • Barrass, B. C.; Elmore, D. T. Formation of cyclic lactams from derivatives of basic amino acids. J. Chem. Soc. 1957, 4830-4.
    • (1957) J. Chem. Soc , pp. 4830-4834
    • Barrass, B.C.1    Elmore, D.T.2
  • 83
    • 43049137007 scopus 로고
    • N-Aeylsulfonamides
    • GB 902881, Merck & Co, Inc
    • N-Aeylsulfonamides. GB 902881, 1962; Merck & Co., Inc.
    • (1962)
  • 84
    • 33748628266 scopus 로고    scopus 로고
    • Sulfamidation of 2-Arylaldehydcs and Ketones with Chloramine-T
    • Baumann, T.; Baechle, M.; Braese, S. Sulfamidation of 2-Arylaldehydcs and Ketones with Chloramine-T. Org. Lett. 2006, 8, 3797-3800.
    • (2006) Org. Lett , vol.8 , pp. 3797-3800
    • Baumann, T.1    Baechle, M.2    Braese, S.3
  • 85
    • 37049057655 scopus 로고
    • Peptides. VI. Further studies of the synthesis of peptides through anhydrides of sulfuric acid
    • Clayton, D. W.; Farrington, J. A.; Kenner, G. W.; Turner, J. M. Peptides. VI. Further studies of the synthesis of peptides through anhydrides of sulfuric acid. J. Chem. Soc. 1957, 1398-407.
    • (1957) J. Chem. Soc , pp. 1398-1407
    • Clayton, D.W.1    Farrington, J.A.2    Kenner, G.W.3    Turner, J.M.4
  • 87
    • 43049103216 scopus 로고
    • Tropisetron
    • Tropisetron. Drug Data Rep. 1992, 14, 863.
    • (1992) Drug Data Rep , vol.14 , pp. 863
  • 88
    • 43049099434 scopus 로고
    • Granisetron
    • Granisetron. Drug Data Rep. 1990, 12, 519.
    • (1990) Drug Data Rep , vol.12 , pp. 519
  • 89
    • 43049085656 scopus 로고
    • Drug Data Rep. 1989, 11, 530.
    • (1989) Drug Data Rep , vol.11 , pp. 530
  • 90
    • 43049133352 scopus 로고
    • Drug Data Rep. 1989, 11, 896.
    • (1989) Drug Data Rep , vol.11 , pp. 896
  • 91
    • 43049086067 scopus 로고
    • Drug Data Rep. 1991, 13, 469.
    • (1991) Drug Data Rep , vol.13 , pp. 469
  • 93
    • 43049147745 scopus 로고
    • Drug Data Rep. 1992, 14, 864.
    • (1992) Drug Data Rep , vol.14 , pp. 864
  • 94
    • 43049103912 scopus 로고
    • Drug Data Rep. 1992, 14, 54.
    • (1992) Drug Data Rep , vol.14 , pp. 54
  • 95
    • 43049118354 scopus 로고
    • Drug Data Rep. 1988, 10, 442.
    • (1988) Drug Data Rep , vol.10 , pp. 442
  • 96
    • 0033193582 scopus 로고    scopus 로고
    • Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules
    • Xue, L.; Godden, J. W.; Bajorath, J. Database Searching for Compounds with Similar Biological Activity Using Short Binary Bit String Representations of Molecules. J. Chem. Inf. Comput. Sci. 1999, 39, 881-886.
    • (1999) J. Chem. Inf. Comput. Sci , vol.39 , pp. 881-886
    • Xue, L.1    Godden, J.W.2    Bajorath, J.3
  • 97
    • 0035263414 scopus 로고    scopus 로고
    • Mini-fingerprints Detect Similar Activity of Receptor Ligands Previously Recognized Only by Three-Dimensional Pharmacophore-Based Methods
    • Xue, L.; Stahura, F. L.; Godden, J. W.; Bajorath, J. Mini-fingerprints Detect Similar Activity of Receptor Ligands Previously Recognized Only by Three-Dimensional Pharmacophore-Based Methods. J. Chem. Inf. Comput. Sci. 2001, 41, 394-401.
    • (2001) J. Chem. Inf. Comput. Sci , vol.41 , pp. 394-401
    • Xue, L.1    Stahura, F.L.2    Godden, J.W.3    Bajorath, J.4
  • 99
    • 0033217178 scopus 로고    scopus 로고
    • Leach, A. R.; Bradshaw, J.; Green, D. V.; Hann, M. M.; Delany, J. J. 3rd. Implementation of a system for reagent selection and library enumeration, profiling, and design. J. Chem. Inf. Model. 1999, 39, 1161-72.
    • Leach, A. R.; Bradshaw, J.; Green, D. V.; Hann, M. M.; Delany, J. J. 3rd. Implementation of a system for reagent selection and library enumeration, profiling, and design. J. Chem. Inf. Model. 1999, 39, 1161-72.
  • 100
    • 31444452744 scopus 로고
    • Automatic Generation of 3D-Atomic Coordinates for Organic Molecules
    • Gasteiger, J.; Rudolph, C.; Sadowski, J. Automatic Generation of 3D-Atomic Coordinates for Organic Molecules. Tetrahedron Comput. Method. 1992, 3, 537-547.
    • (1992) Tetrahedron Comput. Method , vol.3 , pp. 537-547
    • Gasteiger, J.1    Rudolph, C.2    Sadowski, J.3
  • 102
    • 84986533812 scopus 로고
    • Hash codes for the identification and classification of molecular structure elements
    • Ihlenfeldt, W. D.; Gasteiger, J. Hash codes for the identification and classification of molecular structure elements. J. Comput. Chem. 1994, 15, 793-813.
    • (1994) J. Comput. Chem , vol.15 , pp. 793-813
    • Ihlenfeldt, W.D.1    Gasteiger, J.2
  • 103
    • 33748652464 scopus 로고    scopus 로고
    • FlexNovo: Structure-based searching in large fragment spaces
    • Degen, J.; Rarey, M. FlexNovo: structure-based searching in large fragment spaces. ChemMedChem 2006, 1, 854-68.
    • (2006) ChemMedChem , vol.1 , pp. 854-868
    • Degen, J.1    Rarey, M.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.