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Volumn 6, Issue 11, 2014, Pages 1291-1307

Focused chemical libraries - Design and enrichment: An example of protein-protein interaction chemical space

Author keywords

[No Author keywords available]

Indexed keywords

LIGAND; PROTEIN;

EID: 84906727867     PISSN: 17568919     EISSN: 17568927     Source Type: Journal    
DOI: 10.4155/fmc.14.57     Document Type: Review
Times cited : (31)

References (142)
  • 1
    • 84906762218 scopus 로고    scopus 로고
    • Forbes, 3rd January
    • Munoz B. The FDA approvals of 2013: A watershed? Forbes, 3rd January (2014). www.forbes.com/sites/bernardmunos/2014/01/03/the-fda-Approvals-of-2013- A-watershed/
    • (2014) The FDA Approvals of 2013: A Watershed?
    • Munoz, B.1
  • 2
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski C, Lombardo F, Dominy B, Feeney P. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev. 46(1-3), 3-26 (2001).
    • (2001) Adv. Drug Deliv. Rev. , vol.46 , Issue.1-3 , pp. 3-26
    • Lipinski, C.1    Lombardo, F.2    Dominy, B.3    Feeney, P.4
  • 3
  • 4
    • 0034073605 scopus 로고    scopus 로고
    • Property distribution of drug-related chemical databases
    • Oprea TI. Property distribution of drug-related chemical databases. J. Comput. Aided Mol. Des. 14(3), 251-264 (2000).
    • (2000) J. Comput. Aided Mol. Des. , vol.14 , Issue.3 , pp. 251-264
    • Oprea, T.I.1
  • 5
    • 49849094738 scopus 로고    scopus 로고
    • Physiochemical drug properties associated with in vivo toxicological outcomes
    • Hughes JD, Blagg J, Price DA et al. Physiochemical drug properties associated with in vivo toxicological outcomes. Bioorg. Med. Chem. Lett. 18(17), 4872-4875 (2008).
    • (2008) Bioorg. Med. Chem. Lett. , vol.18 , Issue.17 , pp. 4872-4875
    • Hughes, J.D.1    Blagg, J.2    Price, D.A.3
  • 7
    • 79551667504 scopus 로고    scopus 로고
    • In-silico ADME models: A general assessment of their utility in drug discovery applications
    • Gleeson MP, Hersey A, Hannongbua S. In-silico ADME models: A general assessment of their utility in drug discovery applications. Curr. Top. Med. Chem. 11(4), 358-381 (2011).
    • (2011) Curr. Top. Med. Chem. , vol.11 , Issue.4 , pp. 358-381
    • Gleeson, M.P.1    Hersey, A.2    Hannongbua, S.3
  • 8
    • 79952171625 scopus 로고    scopus 로고
    • Probing the links between in vitro potency ADMET and physicochemical parameters
    • Gleeson MP, Hersey A, Montanari D, Overington J. Probing the links between in vitro potency, ADMET and physicochemical parameters. Nat. Rev. Drug Discov. 10(3), 197-208 (2011).
    • (2011) Nat. Rev. Drug Discov. , vol.10 , Issue.3 , pp. 197-208
    • Gleeson, M.P.1    Hersey, A.2    Montanari, D.3    Overington, J.4
  • 10
    • 84857770428 scopus 로고    scopus 로고
    • The challenges involved in modeling toxicity data in silico: A review
    • Gleeson MP, Modi S, Bender A et al. The challenges involved in modeling toxicity data in silico: A review. Curr. Pharm. Des. 18(9), 1266-1291 (2012).
    • (2012) Curr. Pharm. Des. , vol.18 , Issue.9 , pp. 1266-1291
    • Gleeson, M.P.1    Modi, S.2    Bender, A.3
  • 11
    • 84867510930 scopus 로고    scopus 로고
    • Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization
    • Gleeson MP, Montanari D. Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization. Expert Opin. Drug Metab. Toxicol. 8(11), 1435-1446 (2012).
    • (2012) Expert Opin. Drug Metab. Toxicol. , vol.8 , Issue.11 , pp. 1435-1446
    • Gleeson, M.P.1    Montanari, D.2
  • 12
    • 84906729414 scopus 로고    scopus 로고
    • New drug development
    • JayPee Brothers Medical Publishers Ltd, Delhi, India
    • Gupta S. New drug development. In: Drug Discovery and Clinical Research. JayPee Brothers Medical Publishers Ltd, Delhi, India, 1-135 (2011).
    • (2011) Drug Discovery and Clinical Research , pp. 1-135
    • Gupta, S.1
  • 13
  • 15
    • 79960990847 scopus 로고    scopus 로고
    • Chemical and structural lessons from recent successes in protein-protein interaction inhibition (2P2I)
    • Morelli X, Bourgeas R, Roche P. Chemical and structural lessons from recent successes in protein-protein interaction inhibition (2P2I). Curr. Opin. Chem. Biol. 15(4), 475-481 (2011).
    • (2011) Curr. Opin. Chem. Biol. , vol.15 , Issue.4 , pp. 475-481
    • Morelli, X.1    Bourgeas, R.2    Roche, P.3
  • 16
    • 84857712365 scopus 로고    scopus 로고
    • Protein-protein interaction inhibitors get into the groove
    • March 2012
    • Mullard A. Protein-protein interaction inhibitors get into the groove. Nat. Rev. Drug Discov. 11(March 2012), 173-175 (2012).
    • (2012) Nat. Rev. Drug Discov. , vol.11 , pp. 173-175
    • Mullard, A.1
  • 17
    • 84871365798 scopus 로고    scopus 로고
    • Expanding the number of 'druggable' targets: Non-enzymes and protein-protein interactions
    • Makley LN, Gestwicki JE. Expanding the number of 'druggable' targets: Non-enzymes and protein-protein interactions. Chem. Biol. Drug Des. 81(1), 22-32 (2013).
    • (2013) Chem. Biol. Drug Des. , vol.81 , Issue.1 , pp. 22-32
    • Makley, L.N.1    Gestwicki, J.E.2
  • 19
    • 77949743743 scopus 로고    scopus 로고
    • Atomic analysis of protein-protein interfaces with known inhibitors: The 2P2I database
    • Bourgeas R, Basse M-J, Morelli X, Roche P. Atomic analysis of protein-protein interfaces with known inhibitors: The 2P2I database. PLoS ONE 5(3), e9598 (2010).
    • (2010) PLoS ONE , vol.5 , Issue.3
    • Bourgeas, R.1    Basse, M.-J.2    Morelli, X.3    Roche, P.4
  • 20
    • 84876546810 scopus 로고    scopus 로고
    • 2P2Idb: A structural database dedicated to orthosteric modulation of protein-protein interactions
    • Database issue)
    • Basse MJ, Betzi S, Bourgeas R et al. 2P2Idb: A structural database dedicated to orthosteric modulation of protein-protein interactions. Nucleic Acids Res. 41(Database issue), D824-D827 (2013).
    • (2013) Nucleic Acids Res. , vol.41
    • Basse, M.J.1    Betzi, S.2    Bourgeas, R.3
  • 21
    • 84885920636 scopus 로고    scopus 로고
    • TIMBAL v2: Update of a database holding small molecules modulating protein-protein interactions
    • 2013, bat039
    • Higueruelo AP, Jubb H, Blundell TL. TIMBAL v2: Update of a database holding small molecules modulating protein-protein interactions. Database (Oxford) 2013, bat039 (2013).
    • (2013) Database (Oxford)
    • Higueruelo, A.P.1    Jubb, H.2    Blundell, T.L.3
  • 22
    • 84884587933 scopus 로고    scopus 로고
    • IPPI-DB: A manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions
    • Labbé CM, Laconde G, Kuenemann MA, Villoutreix BO, Sperandio O. iPPI-DB: A manually curated and interactive database of small non-peptide inhibitors of protein-protein interactions. Drug Discov. Today 18(19-20), 958-968 (2013).
    • (2013) Drug Discov. Today , vol.8 , Issue.19-20 , pp. 958-968
    • Labbé, C.M.1    Laconde, G.2    Kuenemann, M.A.3    Villoutreix, B.O.4    Sperandio, O.5
  • 23
    • 80051966197 scopus 로고    scopus 로고
    • Structural conservation of druggable hot spots in protein-protein interfaces
    • Kozakov D, Hall DR, Chuang GY et al. Structural conservation of druggable hot spots in protein-protein interfaces. Proc. Natl Acad. Sci. USA 108(33), 13528-13533 (2011).
    • (2011) Proc. Natl Acad. Sci. USA , vol.108 , Issue.33 , pp. 13528-13533
    • Kozakov, D.1    Hall, D.R.2    Chuang, G.Y.3
  • 24
    • 79651474672 scopus 로고    scopus 로고
    • Dr. PIAS: An integrative system for assessing the druggability of protein-protein interactions
    • Sugaya N, Furuya T. Dr. PIAS: An integrative system for assessing the druggability of protein-protein interactions. BMC Bioinformatics 12, 50 (2011).
    • (2011) BMC Bioinformatics , vol.12 , pp. 50
    • Sugaya, N.1    Furuya, T.2
  • 25
    • 81855166104 scopus 로고    scopus 로고
    • Druggability assessment of protein-protein interfaces
    • Wanner J, Fry DC, Peng Z, Roberts J. Druggability assessment of protein-protein interfaces. Future Med. Chem. 3(16), 2021-2038 (2011).
    • (2011) Future Med. Chem. , vol.3 , Issue.16 , pp. 2021-2038
    • Wanner, J.1    Fry, D.C.2    Peng, Z.3    Roberts, J.4
  • 26
    • 84864451527 scopus 로고    scopus 로고
    • PocketQuery: Protein-protein interaction inhibitor starting points from protein-protein interaction structure
    • Web Server issue)
    • Koes DR, Camacho CJ. PocketQuery: Protein-protein interaction inhibitor starting points from protein-protein interaction structure. Nucleic Acids Res. 40(Web Server issue), W387-W392 (2012).
    • (2012) Nucleic Acids Res. , vol.40
    • Koes, D.R.1    Camacho, C.J.2
  • 27
    • 84866309070 scopus 로고    scopus 로고
    • Modulating protein-protein interactions: From structural determinants of binding to druggability prediction to application
    • Metz A, Ciglia E, Gohlke H. Modulating protein-protein interactions: From structural determinants of binding to druggability prediction to application. Curr. Pharm. Des. 18(30), 4630-4647 (2012).
    • (2012) Curr. Pharm. Des. , vol.18 , Issue.30 , pp. 4630-4647
    • Metz, A.1    Ciglia, E.2    Gohlke, H.3
  • 28
    • 84866388293 scopus 로고    scopus 로고
    • Druggability of dynamic protein-protein interfaces
    • Ulucan O, Eyrisch S, Helms V. Druggability of dynamic protein-protein interfaces. Curr. Pharm. Des. 18(30), 4599-4606 (2012).
    • (2012) Curr. Pharm. Des. , vol.18 , Issue.30 , pp. 4599-4606
    • Ulucan, O.1    Eyrisch, S.2    Helms, V.3
  • 30
    • 84893018543 scopus 로고    scopus 로고
    • Protein-protein interactions as druggable targets: Recent technological advances
    • Higueruelo AP, Jubb H, Blundell TL. Protein-protein interactions as druggable targets: Recent technological advances. Curr. Opin. Pharmacol. 13(5), 791-796 (2013).
    • (2013) Curr. Opin. Pharmacol. , vol.13 , Issue.5 , pp. 791-796
    • Higueruelo, A.P.1    Jubb, H.2    Blundell, T.L.3
  • 31
    • 77950839899 scopus 로고    scopus 로고
    • Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods
    • Reynes C, Host H, Camproux AC et al. Designing focused chemical libraries enriched in protein-protein interaction inhibitors using machine-learning methods. PLoS Comput. Biol. 6(3), e1000695 (2010).
    • (2010) PLoS Comput. Biol. , vol.6 , Issue.3
    • Reynes, C.1    Host, H.2    Camproux, A.C.3
  • 32
    • 77649233664 scopus 로고    scopus 로고
    • Rationalizing the chemical space of protein-protein interaction inhibitors
    • Sperandio O, Reynès C, Camproux A, Villoutreix B. Rationalizing the chemical space of protein-protein interaction inhibitors. Drug Discov. Today 15(5-6), 220-229 (2010).
    • (2010) Drug Discov. Today , vol.15 , Issue.5-6 , pp. 220-229
    • Sperandio, O.1    Reynès, C.2    Camproux, A.3    Villoutreix, B.4
  • 33
    • 84866375308 scopus 로고    scopus 로고
    • Editorial: Toward the design of drugs on protein-protein interactions
    • Sperandio O. Editorial: Toward the design of drugs on protein-protein interactions. Curr. Pharm. Des. 18(30), 4585 (2012).
    • (2012) Curr. Pharm. Des. , vol.18 , Issue.30 , pp. 4585
    • Sperandio, O.1
  • 35
    • 84877059094 scopus 로고    scopus 로고
    • Design of libraries targeting protein-protein interfaces
    • Fry D, Huang KS, Di Lello P et al. Design of libraries targeting protein-protein interfaces. ChemMedChem 8(5), 726-732 (2013).
    • (2013) Chem Med Chem , vol.8 , Issue.5 , pp. 726-732
    • Fry, D.1    Huang, K.S.2    Di Lello, P.3
  • 36
    • 84877278593 scopus 로고    scopus 로고
    • 2P2Ichem: Focused chemical libraries dedicated to orthosteric modulation of protein-protein interactions
    • Hamon V, Brunel JM, Combes S, Basse MJ, Roche P, Morelli X. 2P2Ichem: Focused chemical libraries dedicated to orthosteric modulation of protein-protein interactions. MedChemComm 4(5), 797-809 (2013).
    • (2013) Med Chem Comm , vol.4 , Issue.5 , pp. 797-809
    • Hamon, V.1    Brunel, J.M.2    Combes, S.3    Basse, M.J.4    Roche, P.5    Morelli, X.6
  • 37
    • 84889646329 scopus 로고    scopus 로고
    • 2P2I HUNTER: A tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine
    • Hamon V, Bourgeas R, Ducrot P et al. 2P2I HUNTER: A tool for filtering orthosteric protein-protein interaction modulators via a dedicated support vector machine. J. R. Soc. Interface 11(90), 20130860 (2014).
    • (2014) J. R. Soc. Interface , vol.11 , Issue.90 , pp. 20130860
    • Hamon, V.1    Bourgeas, R.2    Ducrot, P.3
  • 39
  • 41
    • 84876529328 scopus 로고    scopus 로고
    • The RCSB Protein Data Bank: New resources for research and education
    • Database issue)
    • Rose PW, Bi C, Bluhm WF et al. The RCSB Protein Data Bank: New resources for research and education. Nucleic Acids Res. 41(Database issue), D475-D482 (2013).
    • (2013) Nucleic Acids Res. , vol.41
    • Rose, P.W.1    Bi, C.2    Bluhm, W.F.3
  • 43
  • 45
    • 84878884695 scopus 로고    scopus 로고
    • What general conclusions can we draw from kinase profiling data sets?
    • Sutherland JJ, Gao C, Cahya S, Vieth M. What general conclusions can we draw from kinase profiling data sets? Biochim. Biophys. Acta 1834(7), 1425-1433 (2013).
    • (2013) Biochim. Biophys. Acta , vol.1834 , Issue.7 , pp. 1425-1433
    • Sutherland, J.J.1    Gao, C.2    Cahya, S.3    Vieth, M.4
  • 46
    • 78951480525 scopus 로고    scopus 로고
    • Recent advances in ligand-based drug design: Relevance and utility of the conformationally sampled pharmacophore approach
    • Acharya C, Coop A, Polli JE, Mackerell AD. Recent advances in ligand-based drug design: Relevance and utility of the conformationally sampled pharmacophore approach. Curr. Comput. Aided Drug Des. 7(1), 10-22 (2011).
    • (2011) Curr. Comput. Aided Drug Des. , vol.7 , Issue.1 , pp. 10-22
    • Acharya, C.1    Coop, A.2    Polli, J.E.3    MacKerell, A.D.4
  • 47
    • 79954989328 scopus 로고    scopus 로고
    • Theoretical and computational approaches to ligand-based drug discovery
    • Favia AD. Theoretical and computational approaches to ligand-based drug discovery. Front. Biosci. (Landmark Ed.) 16, 1276-1290 (2011).
    • (2011) Front. Biosci. (Landmark Ed.) , vol.16 , pp. 1276-1290
    • Favia, A.D.1
  • 48
    • 79956024935 scopus 로고    scopus 로고
    • State-of-The-Art in ligand-based virtual screening
    • Ripphausen P, Nisius B, Bajorath J. State-of-The-Art in ligand-based virtual screening. Drug Discov. Today 16(9-10), 372-376 (2011).
    • (2011) Drug Discov. Today , vol.16 , Issue.9-10 , pp. 372-376
    • Ripphausen, P.1    Nisius, B.2    Bajorath, J.3
  • 49
    • 80054917823 scopus 로고    scopus 로고
    • Current trends in virtual high throughput screening using ligand-based and structure-based methods
    • Sukumar N, Das S. Current trends in virtual high throughput screening using ligand-based and structure-based methods. Comb. Chem. High Throughput Screen. 14(10), 872-888 (2011).
    • (2011) Comb. Chem. High Throughput Screen. , vol.14 , Issue.10 , pp. 872-888
    • Sukumar, N.1    Das, S.2
  • 50
    • 79955956020 scopus 로고    scopus 로고
    • Integrating structure-based and ligand-based approaches for computational drug design
    • Wilson GL, Lill MA. Integrating structure-based and ligand-based approaches for computational drug design. Future Med. Chem. 3(6), 735-750 (2011).
    • (2011) Future Med. Chem. , vol.3 , Issue.6 , pp. 735-750
    • Wilson, G.L.1    Lill, M.A.2
  • 51
    • 84863279866 scopus 로고    scopus 로고
    • From laptop to benchtop to bedside: Structure-based drug design on protein targets
    • Chen L, Morrow JK, Tran HT, Phatak SS, Du-Cuny L, Zhang S. From laptop to benchtop to bedside: Structure-based drug design on protein targets. Curr. Pharm. Des. 18(9), 1217-1239 (2012).
    • (2012) Curr. Pharm. Des. , vol.18 , Issue.9 , pp. 1217-1239
    • Chen, L.1    Morrow, J.K.2    Tran, H.T.3    Phatak, S.S.4    Du-Cuny, L.5    Zhang, S.6
  • 52
    • 84862795414 scopus 로고    scopus 로고
    • Structure-based virtual screening for drug discovery: A problem-centric review
    • Cheng T, Li Q, Zhou Z, Wang Y, Bryant SH. Structure-based virtual screening for drug discovery: A problem-centric review. AAPS J. 14(1), 133-141 (2012).
    • (2012) AAPS J. , vol.14 , Issue.1 , pp. 133-141
    • Cheng, T.1    Li, Q.2    Zhou, Z.3    Wang, Y.4    Bryant, S.H.5
  • 53
    • 84878782605 scopus 로고    scopus 로고
    • Methods and applications of structure based pharmacophores in drug discovery
    • Pirhadi S, Shiri F, Ghasemi JB. Methods and applications of structure based pharmacophores in drug discovery. Curr. Top. Med. Chem. 13(9), 1036-1047 (2013).
    • (2013) Curr. Top. Med. Chem. , vol.13 , Issue.9 , pp. 1036-1047
    • Pirhadi, S.1    Shiri, F.2    Ghasemi, J.B.3
  • 55
  • 56
    • 77649220192 scopus 로고    scopus 로고
    • Current trends in ligand-based virtual screening: Molecular representations, data mining methods, new application areas, and performance evaluation
    • Geppert H, Vogt M, Bajorath J. Current trends in ligand-based virtual screening: Molecular representations, data mining methods, new application areas, and performance evaluation. J. Chem. Inf. Model 50(2), 205-216 (2010).
    • (2010) J. Chem. Inf. Model , vol.50 , Issue.2 , pp. 205-216
    • Geppert, H.1    Vogt, M.2    Bajorath, J.3
  • 57
    • 84872869954 scopus 로고    scopus 로고
    • Benchmarking ligand-based virtual high-Throughput screening with the Pub Chem database
    • Butkiewicz M, Lowe EW, Mueller R et al. Benchmarking ligand-based virtual high-Throughput screening with the PubChem database. Molecules 18(1), 735-756 (2013).
    • (2013) Molecules , vol.18 , Issue.1 , pp. 735-756
    • Butkiewicz, M.1    Lowe, E.W.2    Mueller, R.3
  • 58
    • 14944348527 scopus 로고    scopus 로고
    • A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction
    • Rush TS, Grant JA, Mosyak L, Nicholls A. A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction. J. Med. Chem. 48(5), 1489-1495 (2005).
    • (2005) J. Med. Chem. , vol.48 , Issue.5 , pp. 1489-1495
    • Rush, T.S.1    Grant, J.A.2    Mosyak, L.3    Nicholls, A.4
  • 59
    • 76449085493 scopus 로고    scopus 로고
    • Computation of 3D queries for ROCS based virtual screens
    • Tawa GJ, Baber JC, Humblet C. Computation of 3D queries for ROCS based virtual screens. J. Comput. Aided Mol. Des. 23(12), 853-868 (2009).
    • (2009) J. Comput. Aided Mol. Des. , vol.23 , Issue.12 , pp. 853-868
    • Tawa, G.J.1    Baber, J.C.2    Humblet, C.3
  • 60
    • 77950876424 scopus 로고    scopus 로고
    • Molecular shape technologies in drug discovery: Methods and applications
    • Ebalunode JO, Zheng W. Molecular shape technologies in drug discovery: Methods and applications. Curr. Top. Med. Chem. 10(6), 669-679 (2010).
    • (2010) Curr. Top. Med. Chem. , vol.10 , Issue.6 , pp. 669-679
    • Ebalunode, J.O.1    Zheng, W.2
  • 62
    • 78650643212 scopus 로고    scopus 로고
    • Ultrafast shape recognition: Method and applications
    • Ballester PJ. Ultrafast shape recognition: Method and applications. Future Med. Chem. 3(1), 65-78 (2011).
    • (2011) Future Med. Chem. , vol.3 , Issue.1 , pp. 65-78
    • Ballester, P.J.1
  • 63
    • 43349090139 scopus 로고    scopus 로고
    • A novel hybrid ultrafast shape descriptor method for use in virtual screening
    • Cannon EO, Nigsch F, Mitchell JB. A novel hybrid ultrafast shape descriptor method for use in virtual screening. Chem. Cent. J. 2, 3 (2008).
    • (2008) Chem. Cent. J. , vol.2 , pp. 3
    • Cannon, E.O.1    Nigsch, F.2    Mitchell, J.B.3
  • 64
    • 80055087964 scopus 로고    scopus 로고
    • Improving the accuracy of ultrafast ligand-based screening: Incorporating lipophilicity into ElectroShape as an extra dimension
    • Armstrong MS, Finn PW, Morris GM, Richards WG. Improving the accuracy of ultrafast ligand-based screening: Incorporating lipophilicity into ElectroShape as an extra dimension. J. Comput. Aided Mol. Des. 25(8), 785-790 (2011).
    • (2011) J. Comput. Aided Mol. Des. , vol.25 , Issue.8 , pp. 785-790
    • Armstrong, M.S.1    Finn, P.W.2    Morris, G.M.3    Richards, W.G.4
  • 65
    • 84872183652 scopus 로고    scopus 로고
    • USRCAT: Real-Time ultrafast shape recognition with pharmacophoric constraints
    • Schreyer AM, Blundell T. USRCAT: Real-Time ultrafast shape recognition with pharmacophoric constraints. J. Cheminform. 4(1), 27 (2012).
    • (2012) J. Cheminform. , vol.4 , Issue.1 , pp. 27
    • Schreyer, A.M.1    Blundell, T.2
  • 66
    • 37249031360 scopus 로고    scopus 로고
    • Lessons in molecular recognition 2 Assessing and improving cross-docking accuracy
    • Sutherland JJ, Nandigam RK, Erickson JA, Vieth M. Lessons in molecular recognition. 2. Assessing and improving cross-docking accuracy. J. Chem. Inf. Model. 47(6), 2293-2302 (2007).
    • (2007) J. Chem. Inf. Model. , vol.47 , Issue.6 , pp. 2293-2302
    • Sutherland, J.J.1    Nandigam, R.K.2    Erickson, J.A.3    Vieth, M.4
  • 67
    • 79959224583 scopus 로고    scopus 로고
    • Molecular docking: A powerful approach for structure-based drug discovery
    • Meng XY, Zhang HX, Mezei M, Cui M. Molecular docking: A powerful approach for structure-based drug discovery. Curr. Comput. Aided Drug Des. 7(2), 146-157 (2011).
    • (2011) Curr. Comput. Aided Drug Des. , vol.7 , Issue.2 , pp. 146-157
    • Meng, X.Y.1    Zhang, H.X.2    Mezei, M.3    Cui, M.4
  • 68
    • 44949229188 scopus 로고    scopus 로고
    • Development and experimental validation of a docking strategy for the generation of kinase-Targeted libraries
    • Gozalbes R, Simon L, Froloff N, Sartori E, Monteils C, Baudelle R. Development and experimental validation of a docking strategy for the generation of kinase-Targeted libraries. J. Med. Chem. 51(11), 3124-3132 (2008).
    • (2008) J. Med. Chem. , vol.51 , Issue.11 , pp. 3124-3132
    • Gozalbes, R.1    Simon, L.2    Froloff, N.3    Sartori, E.4    Monteils, C.5    Baudelle, R.6
  • 69
    • 79955407842 scopus 로고    scopus 로고
    • Accelerating molecular docking calculations using graphics processing units
    • Korb O, Stützle T, Exner TE. Accelerating molecular docking calculations using graphics processing units. J. Chem. Inf. Model 51(4), 865-876 (2011).
    • (2011) J. Chem. Inf. Model , vol.51 , Issue.4 , pp. 865-876
    • Korb, O.1    Stützle, T.2    Exner, T.E.3
  • 70
    • 84962704372 scopus 로고    scopus 로고
    • High performance transcription factor-DNA docking with GPU computing
    • Wu J, Hong B, Takeda T, Guo JT. High performance transcription factor-DNA docking with GPU computing. Proteome Sci. 10(Suppl. 1), S17 (2012).
    • (2012) Proteome Sci. , vol.10 , Issue.SUPPL. 1
    • Wu, J.1    Hong, B.2    Takeda, T.3    Guo, J.T.4
  • 71
    • 84868556569 scopus 로고    scopus 로고
    • Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification
    • Ballester PJ, Mangold M, Howard NI et al. Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification. J. R. Soc. Interface 9(77), 3196-3207 (2012).
    • (2012) J. R. Soc. Interface , vol.9 , Issue.77 , pp. 3196-3207
    • Ballester, P.J.1    Mangold, M.2    Howard, N.I.3
  • 72
    • 84866978465 scopus 로고    scopus 로고
    • Searching for the Holy Grail; Protein-protein interaction analysis and modulation
    • Morelli X, Hupp T. Searching for the Holy Grail; protein-protein interaction analysis and modulation. EMBO Rep. 13(10), 877-879 (2012).
    • (2012) EMBO Rep. , vol.13 , Issue.10 , pp. 877-879
    • Morelli, X.1    Hupp, T.2
  • 73
    • 44349113144 scopus 로고    scopus 로고
    • Estimating the size of the human interactome
    • Stumpf M, Thorne T, de Silva E et al. Estimating the size of the human interactome. Proc. Natl Acad. Sci. USA 105(19), 6959-6964 (2008).
    • (2008) Proc. Natl Acad. Sci. USA , vol.105 , Issue.19 , pp. 6959-6964
    • Stumpf, M.1    Thorne, T.2    De Silva, E.3
  • 74
    • 58149305794 scopus 로고    scopus 로고
    • An empirical framework for binary interactome mapping
    • Venkatesan K, Rual J, Vazquez A et al. An empirical framework for binary interactome mapping. Nat. Methods 6(1), 83-90 (2009).
    • (2009) Nat. Methods , vol.6 , Issue.1 , pp. 83-90
    • Venkatesan, K.1    Rual, J.2    Vazquez, A.3
  • 75
    • 67649841614 scopus 로고    scopus 로고
    • The road less traveled: Modulating signal transduction enzymes by inhibiting their protein-protein interactions
    • Arkin MR, Whitty A. The road less traveled: Modulating signal transduction enzymes by inhibiting their protein-protein interactions. Curr. Opin. Chem. Biol. 13(3), 284-290 (2009).
    • (2009) Curr. Opin. Chem. Biol. , vol.13 , Issue.3 , pp. 284-290
    • Arkin, M.R.1    Whitty, A.2
  • 76
    • 70450169243 scopus 로고    scopus 로고
    • Inhibition of protein-protein interactions using designed molecules
    • Wilson AJ. Inhibition of protein-protein interactions using designed molecules. Chem. Soc. Rev. 38(12), 3289-3300 (2009).
    • (2009) Chem. Soc. Rev. , vol.38 , Issue.12 , pp. 3289-3300
    • Wilson, A.J.1
  • 77
    • 76149109071 scopus 로고    scopus 로고
    • Targeting protein-protein interactions for therapeutic intervention: A challenge for the future
    • Zinzalla G, Thurston DE. Targeting protein-protein interactions for therapeutic intervention: A challenge for the future. Future Med. Chem. 1(1), 65-93 (2009).
    • (2009) Future Med. Chem. , vol.1 , Issue.1 , pp. 65-93
    • Zinzalla, G.1    Thurston, D.E.2
  • 78
    • 77952543382 scopus 로고    scopus 로고
    • Therapeutic targeting of p53 by small molecules
    • Selivanova G. Therapeutic targeting of p53 by small molecules. Semin. Cancer Biol. 20(1), 46-56 (2010).
    • (2010) Semin. Cancer Biol. , vol.20 , Issue.1 , pp. 46-56
    • Selivanova, G.1
  • 79
    • 78650929447 scopus 로고    scopus 로고
    • Modulation of protein-protein interactions as a therapeutic strategy for the treatment of neurodegenerative tauopathies
    • Ballatore C, Brunden KR, Trojanowski JQ, Lee VM, Smith AB, Huryn DM. Modulation of protein-protein interactions as a therapeutic strategy for the treatment of neurodegenerative tauopathies. Curr. Top. Med. Chem. 11(3), 317-330 (2011).
    • (2011) Curr. Top. Med. Chem. , vol.11 , Issue.3 , pp. 317-330
    • Ballatore, C.1    Brunden, K.R.2    Trojanowski, J.Q.3    Lee, V.M.4    Smith, A.B.5    Huryn, D.M.6
  • 81
    • 78650957050 scopus 로고    scopus 로고
    • Protein-protein interactions and cancer: Targeting the central dogma
    • Garner AL, Janda KD. Protein-protein interactions and cancer: Targeting the central dogma. Curr. Top. Med. Chem. 11(3), 258-280 (2011).
    • (2011) Curr. Top. Med. Chem. , vol.11 , Issue.3 , pp. 258-280
    • Garner, A.L.1    Janda, K.D.2
  • 82
    • 84862868473 scopus 로고    scopus 로고
    • Small-molecule inhibitors of IL-2/ IL-2R: Lessons learned and applied
    • Wilson CG, Arkin MR. Small-molecule inhibitors of IL-2/ IL-2R: Lessons learned and applied. Curr. Top. Microbiol. Immunol. 348, 25-59 (2011).
    • (2011) Curr. Top. Microbiol. Immunol. , vol.348 , pp. 25-59
    • Wilson, C.G.1    Arkin, M.R.2
  • 83
    • 84857733776 scopus 로고    scopus 로고
    • Computational drug design targeting protein-protein interactions
    • Bienstock RJ. Computational drug design targeting protein-protein interactions. Curr. Pharm. Des. 18(9), 1240-1254 (2012).
    • (2012) Curr. Pharm. Des. , vol.18 , Issue.9 , pp. 1240-1254
    • Bienstock, R.J.1
  • 84
    • 84866414275 scopus 로고    scopus 로고
    • Small-molecule inhibitors of protein-protein interactions: How to mimic a protein partner
    • Fry DC. Small-molecule inhibitors of protein-protein interactions: How to mimic a protein partner. Curr. Pharm. Des. 18(30), 4679-4684 (2012).
    • (2012) Curr. Pharm. Des. , vol.18 , Issue.30 , pp. 4679-4684
    • Fry, D.C.1
  • 85
    • 84866371810 scopus 로고    scopus 로고
    • P53 MDM2 inhibitors
    • Khoury K, Dömling A. P53 MDM2 inhibitors. Curr. Pharm. Des. 18(30), 4668-4678 (2012).
    • (2012) Curr. Pharm. Des. , vol.18 , Issue.30 , pp. 4668-4678
    • Khoury, K.1    Dömling, A.2
  • 86
    • 84886304492 scopus 로고    scopus 로고
    • De-peptidising protein-protein interactions-big jobs for small molecules
    • Fayne D. De-peptidising protein-protein interactions-big jobs for small molecules. Drug Discov. Today Technol. 10(4), e467-e474 (2013).
    • (2013) Drug Discov. Today Technol. , vol.10 , Issue.4
    • Fayne, D.1
  • 88
    • 84879784821 scopus 로고    scopus 로고
    • Targeting protein-protein interactions as an anticancer strategy
    • Ivanov AA, Khuri FR, Fu H. Targeting protein-protein interactions as an anticancer strategy. Trends Pharmacol. Sci. 34(7), 393-400 (2013).
    • (2013) Trends Pharmacol. Sci. , vol.34 , Issue.7 , pp. 393-400
    • Ivanov, A.A.1    Khuri, F.R.2    Fu, H.3
  • 89
    • 84872513683 scopus 로고    scopus 로고
    • Stabilization and inhibition of protein-protein interactions: The 14-13-3 case study
    • Milroy LG, Brunsveld L, Ottmann C. Stabilization and inhibition of protein-protein interactions: The 14-13-3 case study. ACS Chem. Biol. 8(1), 27-35 (2013).
    • (2013) ACS Chem. Biol. , vol.8 , Issue.1 , pp. 27-35
    • Milroy, L.G.1    Brunsveld, L.2    Ottmann, C.3
  • 90
    • 84886315105 scopus 로고    scopus 로고
    • Small molecules modulation of 14-13-3 protein-protein interactions
    • Mori M, Vignaroli G, Botta M. Small molecules modulation of 14-13-3 protein-protein interactions. Drug Discov. Today Technol. 10(4), e541-547 (2013).
    • (2013) Drug Discov. Today Technol. , vol.10 , Issue.4
    • Mori, M.1    Vignaroli, G.2    Botta, M.3
  • 91
    • 84886294890 scopus 로고    scopus 로고
    • Small-molecule modulation of protein-protein interactions
    • Ottmann C. Small-molecule modulation of protein-protein interactions. Drug Discov. Today Technol. 10(4), e499-500 (2013).
    • (2013) Drug Discov. Today Technol. , vol.10 , Issue.4
    • Ottmann, C.1
  • 92
    • 84886286398 scopus 로고    scopus 로고
    • Inhibitors of protein-protein interactions: New methodologies to tackle this challenge
    • Silvian L, Enyedy I, Kumaravel G. Inhibitors of protein-protein interactions: New methodologies to tackle this challenge. Drug Discov. Today Technol. 10(4), e509-e515 (2013).
    • (2013) Drug Discov. Today Technol. , vol.10 , Issue.4
    • Silvian, L.1    Enyedy, I.2    Kumaravel, G.3
  • 93
    • 84886290829 scopus 로고    scopus 로고
    • Probing structural adaptivity at PPI interfaces with small molecules
    • Wilson CG, Arkin MR. Probing structural adaptivity at PPI interfaces with small molecules. Drug Discov. Today Technol. 10(4), e501-508 (2013).
    • (2013) Drug Discov. Today Technol. , vol.10 , Issue.4
    • Wilson, C.G.1    Arkin, M.R.2
  • 94
    • 84876698229 scopus 로고    scopus 로고
    • Discovery of small molecule fusion inhibitors targeting HIV-1 gp41
    • Zhou G, Chu S. Discovery of small molecule fusion inhibitors targeting HIV-1 gp41. Curr. Pharm. Des. 19(10), 1818-1826 (2013).
    • (2013) Curr. Pharm. Des. , vol.19 , Issue.10 , pp. 1818-1826
    • Zhou, G.1    Chu, S.2
  • 96
    • 84895491357 scopus 로고    scopus 로고
    • Structure-based design of small-molecule protein-protein interaction modulators: The story so far
    • Falchi F, Caporuscio F, Recanatini M. Structure-based design of small-molecule protein-protein interaction modulators: The story so far. Future Med. Chem. 6(3), 343-357 (2014).
    • (2014) Future Med. Chem. , vol.6 , Issue.3 , pp. 343-357
    • Falchi, F.1    Caporuscio, F.2    Recanatini, M.3
  • 97
    • 84896346370 scopus 로고    scopus 로고
    • Synthesis and biological evaluation of novel antiviral agents as protein-protein interaction inhibitors
    • Ferro S, De Luca L, Morreale F et al. Synthesis and biological evaluation of novel antiviral agents as protein-protein interaction inhibitors. J. Enzyme Inhib. Med. Chem. 29(2), 237-242 (2014).
    • (2014) J. Enzyme Inhib. Med. Chem. , vol.29 , Issue.2 , pp. 237-242
    • Ferro, S.1    De Luca, L.2    Morreale, F.3
  • 98
    • 84891850975 scopus 로고    scopus 로고
    • Targeting protein-protein interaction by small molecules
    • Jin L, Wang W, Fang G. Targeting protein-protein interaction by small molecules. Annu. Rev. Pharmacol. Toxicol. 54, 435-456 (2014).
    • (2014) Annu. Rev. Pharmacol. Toxicol. , vol.54 , pp. 435-456
    • Jin, L.1    Wang, W.2    Fang, G.3
  • 101
    • 22144454687 scopus 로고    scopus 로고
    • Strategies for targeting protein-protein interactions with synthetic agents
    • Yin H, Hamilton AD. Strategies for targeting protein-protein interactions with synthetic agents. Angew. Chem. Int. Ed. Engl. 44(27), 4130-4163 (2005).
    • (2005) Angew. Chem. Int. Ed. Engl. , vol.44 , Issue.27 , pp. 4130-4163
    • Yin, H.1    Hamilton, A.D.2
  • 102
    • 33645827371 scopus 로고    scopus 로고
    • Targeting protein-protein interactions by rational design: Mimicry of protein surfaces
    • Fletcher S, Hamilton AD. Targeting protein-protein interactions by rational design: Mimicry of protein surfaces. J. R. Soc. Interface 3(7), 215-233 (2006).
    • (2006) J. R. Soc. Interface , vol.3 , Issue.7 , pp. 215-233
    • Fletcher, S.1    Hamilton, A.D.2
  • 103
    • 33846662867 scopus 로고    scopus 로고
    • Synthetic non-peptide mimetics of alpha-helices
    • Davis JM, Tsou LK, Hamilton AD. Synthetic non-peptide mimetics of alpha-helices. Chem. Soc. Rev. 36(2), 326-334 (2007).
    • (2007) Chem. Soc. Rev. , vol.36 , Issue.2 , pp. 326-334
    • Davis, J.M.1    Tsou, L.K.2    Hamilton, A.D.3
  • 104
    • 44949231073 scopus 로고    scopus 로고
    • Peptidomimetics, a synthetic tool of drug discovery
    • Vagner J, Qu H, Hruby VJ. Peptidomimetics, a synthetic tool of drug discovery. Curr. Opin. Chem. Biol. 12(3), 292-296 (2008).
    • (2008) Curr. Opin. Chem. Biol. , vol.12 , Issue.3 , pp. 292-296
    • Vagner, J.1    Qu, H.2    Hruby, V.J.3
  • 105
    • 77953639812 scopus 로고    scopus 로고
    • Using peptides to study protein-protein interactions
    • Benyamini H, Friedler A. Using peptides to study protein-protein interactions. Future Med. Chem. 2(6), 989-1003 (2010).
    • (2010) Future Med. Chem. , vol.2 , Issue.6 , pp. 989-1003
    • Benyamini, H.1    Friedler, A.2
  • 106
    • 84875436143 scopus 로고    scopus 로고
    • Inhibition of a-helix-mediated protein-protein interactions using designed molecules
    • Azzarito V, Long K, Murphy NS, Wilson AJ. Inhibition of a-helix-mediated protein-protein interactions using designed molecules. Nat. Chem. 5(3), 161-173 (2013).
    • (2013) Nat. Chem. , vol.5 , Issue.3 , pp. 161-173
    • Azzarito, V.1    Long, K.2    Murphy, N.S.3    Wilson, A.J.4
  • 107
    • 84872260755 scopus 로고    scopus 로고
    • Design of peptide and peptidomimetic ligands with novel pharmacological activity profiles
    • Hruby VJ, Cai M. Design of peptide and peptidomimetic ligands with novel pharmacological activity profiles. Annu. Rev. Pharmacol. Toxicol. 53, 557-580 (2013).
    • (2013) Annu. Rev. Pharmacol. Toxicol. , vol.53 , pp. 557-580
    • Hruby, V.J.1    Cai, M.2
  • 108
    • 84880578412 scopus 로고    scopus 로고
    • Computational analysis of protein-protein interfaces involving an alpha helix: Insights for terphenyl-like molecules binding
    • Isvoran A, Craciun D, Martiny V, Sperandio O, Miteva MA. Computational analysis of protein-protein interfaces involving an alpha helix: Insights for terphenyl-like molecules binding. BMC Pharmacol. Toxicol. 14, 31 (2013).
    • (2013) BMC Pharmacol. Toxicol. , vol.14 , Issue.31
    • Isvoran, A.1    Craciun, D.2    Martiny, V.3    Sperandio, O.4    Miteva, M.A.5
  • 109
    • 84904267656 scopus 로고    scopus 로고
    • Tailoring peptidomimetics for targeting protein-protein interactions
    • Akram ON, Degraff DJ, Sheehan JH et al. Tailoring peptidomimetics for targeting protein-protein interactions. Mol. Cancer Res. 12(7), 967-978 (2014).
    • (2014) Mol. Cancer Res. , vol.12 , Issue.7 , pp. 967-978
    • Akram, O.N.1    Degraff, D.J.2    Sheehan, J.H.3
  • 111
    • 3342908718 scopus 로고    scopus 로고
    • Emerging classes of protein-protein interaction inhibitors and new tools for their development
    • Pagliaro L, Felding J, Audouze K et al. Emerging classes of protein-protein interaction inhibitors and new tools for their development. Curr. Opin. Chem. Biol. 8(4), 442-449 (2004).
    • (2004) Curr. Opin. Chem. Biol. , vol.8 , Issue.4 , pp. 442-449
    • Pagliaro, L.1    Felding, J.2    Audouze, K.3
  • 112
    • 34648833340 scopus 로고    scopus 로고
    • Prediction of protein-protein interaction inhibitors by chemoinformatics and machine learning methods
    • Neugebauer A, Hartmann RW, Klein CD. Prediction of protein-protein interaction inhibitors by chemoinformatics and machine learning methods. J. Med. Chem. 50(19), 4665-4668 (2007).
    • (2007) J. Med. Chem. , vol.50 , Issue.19 , pp. 4665-4668
    • Neugebauer, A.1    Hartmann, R.W.2    Klein, C.D.3
  • 113
    • 37249004920 scopus 로고    scopus 로고
    • Reaching for high-hanging fruit in drug discovery at protein-protein interfaces
    • Wells JA, McClendon CL. Reaching for high-hanging fruit in drug discovery at protein-protein interfaces. Nature 450(7172), 1001-1009 (2007).
    • (2007) Nature , vol.450 , Issue.7172 , pp. 1001-1009
    • Wells, J.A.1    McClendon, C.L.2
  • 117
    • 84906762215 scopus 로고    scopus 로고
    • Target-focused libraries. www.otavachemicals.com/products/target-focused- libraries/ protein-protein-interaction
    • Target-focused Libraries.
  • 119
    • 84906762207 scopus 로고    scopus 로고
    • 2P2I Hunter. http://2p2idb.cnrs-mrs.fr/2p2i-hunter.html
    • A 2P2I Hunter.
  • 120
    • 58849145512 scopus 로고    scopus 로고
    • Predicting druggable binding sites at the protein-protein interface
    • Fuller JC, Burgoyne NJ, Jackson RM. Predicting druggable binding sites at the protein-protein interface. Drug Discovery Today 14(3-4), 155-161 (2009).
    • (2009) Drug Discovery Today , vol.14 , Issue.3-4 , pp. 155-161
    • Fuller, J.C.1    Burgoyne, N.J.2    Jackson, R.M.3
  • 121
    • 71049126548 scopus 로고    scopus 로고
    • Escape from flatland: Increasing saturation as an approach to improving clinical success
    • Lovering F, Bikker J, Humblet C. Escape from flatland: Increasing saturation as an approach to improving clinical success. J. Med. Chem. 52(21), 6752-6756 (2009).
    • (2009) J. Med. Chem. , vol.52 , Issue.21 , pp. 6752-6756
    • Lovering, F.1    Bikker, J.2    Humblet, C.3
  • 122
    • 80054970242 scopus 로고    scopus 로고
    • New and unusual scaffolds in medicinal chemistry
    • Marson CM. New and unusual scaffolds in medicinal chemistry. Chem Soc Rev. 40(11), 5514-5533 (2011).
    • (2011) Chem Soc Rev. , vol.40 , Issue.11 , pp. 5514-5533
    • Marson, C.M.1
  • 123
    • 84900565367 scopus 로고    scopus 로고
    • Dragon 6. www.talete.mi.it
    • Dragon 6.
  • 124
    • 44849112219 scopus 로고    scopus 로고
    • ABT-263: A potent and orally bioavailable Bcl-2 family inhibitor
    • Tse C, Shoemaker AR, Adickes J et al. ABT-263: A potent and orally bioavailable Bcl-2 family inhibitor. Cancer Res. 68(9), 3421-3428 (2008).
    • (2008) Cancer Res. , vol.68 , Issue.9 , pp. 3421-3428
    • Tse, C.1    Shoemaker, A.R.2    Adickes, J.3
  • 125
    • 77956225330 scopus 로고    scopus 로고
    • The Bcl-2 inhibitor ABT-263 enhances the response of multiple chemotherapeutic regimens in hematologic tumors in vivo
    • Ackler S, Mitten MJ, Foster K et al. The Bcl-2 inhibitor ABT-263 enhances the response of multiple chemotherapeutic regimens in hematologic tumors in vivo. Cancer Chemother. Pharmacol. 66(5), 869-880 (2010).
    • (2010) Cancer Chemother. Pharmacol. , vol.66 , Issue.5 , pp. 869-880
    • Ackler, S.1    Mitten, M.J.2    Foster, K.3
  • 126
    • 77949727323 scopus 로고    scopus 로고
    • Identification of expression signatures predictive of sensitivity to the Bcl-2 family member inhibitor ABT-263 in small cell lung carcinoma and leukemia/ lymphoma cell lines
    • Tahir SK, Wass J, Joseph MK et al. Identification of expression signatures predictive of sensitivity to the Bcl-2 family member inhibitor ABT-263 in small cell lung carcinoma and leukemia/ lymphoma cell lines. Mol. Cancer Ther. 9(3), 545-557 (2010).
    • (2010) Mol. Cancer Ther. , vol.9 , Issue.3 , pp. 545-557
    • Tahir, S.K.1    Wass, J.2    Joseph, M.K.3
  • 127
    • 79952291173 scopus 로고    scopus 로고
    • Phase i study of navitoclax (ABT-263), a novel Bcl-2 family inhibitor, in patients with small-cell lung cancer and other solid tumors
    • Gandhi L, Camidge DR, Ribeiro De Oliveira M et al. Phase I study of navitoclax (ABT-263), a novel Bcl-2 family inhibitor, in patients with small-cell lung cancer and other solid tumors. J. Clin. Oncol. 29(7), 909-916 (2011).
    • (2011) J. Clin. Oncol. , vol.29 , Issue.7 , pp. 909-916
    • Gandhi, L.1    Camidge, D.R.2    Ribeiro De Oliveira, M.3
  • 128
    • 84866945774 scopus 로고    scopus 로고
    • Drug-likeness and increased hydrophobicity of commercially available compound libraries for drug screening
    • Zuegg J, Cooper MA. Drug-likeness and increased hydrophobicity of commercially available compound libraries for drug screening. Curr. Top. Med. Chem. 12(14), 1500-1513 (2012).
    • (2012) Curr. Top. Med. Chem. , vol.12 , Issue.14 , pp. 1500-1513
    • Zuegg, J.1    Cooper, M.A.2
  • 130
    • 0037439447 scopus 로고    scopus 로고
    • Nonleadlikeness and leadlikeness in biochemical screening
    • Rishton GM. Nonleadlikeness and leadlikeness in biochemical screening. Drug Discov. Today 8(2), 86-96 (2003).
    • (2003) Drug Discov. Today , vol.8 , Issue.2 , pp. 86-96
    • Rishton, G.M.1
  • 132
    • 85016467855 scopus 로고    scopus 로고
    • Modulators of protein-protein interactions: Importance of three-dimensionality
    • Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany
    • Fry DC, So S-S. Modulators of protein-protein interactions: Importance of three-dimensionality. In: Protein-Protein Interactions in Drug Discovery. Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany, 55-62 (2013).
    • (2013) Protein-Protein Interactions in Drug Discovery. , pp. 55-62
    • Fry, D.C.1    So, S.-S.2
  • 133
    • 11144320699 scopus 로고    scopus 로고
    • Navigating chemical space for biology and medicine
    • Lipinski C, Hopkins A. Navigating chemical space for biology and medicine. Nature 432(7019), 855-861 (2004).
    • (2004) Nature , vol.432 , Issue.7019 , pp. 855-861
    • Lipinski, C.1    Hopkins, A.2
  • 134
    • 68049094985 scopus 로고    scopus 로고
    • Bioactivity-guided mapping and navigation of chemical space
    • Renner S, van Otterlo WA, Dominguez Seoane M et al. Bioactivity-guided mapping and navigation of chemical space. Nat. Chem. Biol. 5(8), 585-592 (2009).
    • (2009) Nat. Chem. Biol. , vol.5 , Issue.8 , pp. 585-592
    • Renner, S.1    Van Otterlo, W.A.2    Dominguez Seoane, M.3
  • 135
    • 84866355546 scopus 로고    scopus 로고
    • Exploring chemical space for drug discovery using the chemical universe database
    • Reymond JL, Awale M. Exploring chemical space for drug discovery using the chemical universe database. ACS Chem. Neurosci. 3(9), 649-657 (2012).
    • (2012) ACS Chem. Neurosci. , vol.3 , Issue.9 , pp. 649-657
    • Reymond, J.L.1    Awale, M.2
  • 136
    • 84873036431 scopus 로고    scopus 로고
    • Visualization and virtual screening of the chemical universe database GDB-17
    • Ruddigkeit L, Blum LC, Reymond JL. Visualization and virtual screening of the chemical universe database GDB-17. J. Chem. Inf. Model 53(1), 56-65 (2013).
    • (2013) J. Chem. Inf. Model , vol.53 , Issue.1 , pp. 56-65
    • Ruddigkeit, L.1    Blum, L.C.2    Reymond, J.L.3
  • 137
    • 84883244424 scopus 로고    scopus 로고
    • SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules
    • Schwartz J, Awale M, Reymond JL. SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic molecules. J. Chem. Inf. Model 53(8), 1979-1989 (2013).
    • (2013) J. Chem. Inf. Model , vol.53 , Issue.8 , pp. 1979-1989
    • Schwartz, J.1    Awale, M.2    Reymond, J.L.3
  • 138
    • 0042202919 scopus 로고    scopus 로고
    • Chemography: The art of navigating in chemical space
    • Oprea TI, Gottfries J. Chemography: The art of navigating in chemical space. J. Comb. Chem. 3(2), 157-166 (2001).
    • (2001) J. Comb. Chem. , vol.3 , Issue.2 , pp. 157-166
    • Oprea, T.I.1    Gottfries, J.2
  • 139
    • 84857584685 scopus 로고    scopus 로고
    • Visual characterization and diversity quantification of chemical libraries: 2 Analysis and selection of size-independent, subspace-specific diversity indices
    • Colliandre L, Le Guilloux V, Bourg S, Morin-Allory L. Visual characterization and diversity quantification of chemical libraries: 2. Analysis and selection of size-independent, subspace-specific diversity indices. J. Chem. Inf. Model 52(2), 327-342 (2012).
    • (2012) J. Chem. Inf. Model , vol.52 , Issue.2 , pp. 327-342
    • Colliandre, L.1    Le Guilloux, V.2    Bourg, S.3    Morin-Allory, L.4
  • 140
    • 80051986700 scopus 로고    scopus 로고
    • Visual characterization and diversity quantification of chemical libraries: 1 creation of delimited reference chemical subspaces
    • Le Guilloux V, Colliandre L, Bourg S, Guénegou G, Dubois-Chevalier J, Morin-Allory L. Visual characterization and diversity quantification of chemical libraries: 1. creation of delimited reference chemical subspaces. J. Chem. Inf. Model 51(8), 1762-1774 (2011).
    • (2011) J. Chem. Inf. Model , vol.51 , Issue.8 , pp. 1762-1774
    • Le Guilloux, V.1    Colliandre, L.2    Bourg, S.3    Guénegou, G.4    Dubois-Chevalier, J.5    Morin-Allory, L.6


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