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1
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4344645978
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Can the pharmaceutical industry reduce attrition rates?
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An excellent review of industry attrition rates over the years. The authors discuss possible causes and remedies. Interestingly, the impact of druggability on these attrition rates is not discussed.
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Kola I., and Landis J. Can the pharmaceutical industry reduce attrition rates?. Nat Rev Drug Discov 3 (2004) 711-715. An excellent review of industry attrition rates over the years. The authors discuss possible causes and remedies. Interestingly, the impact of druggability on these attrition rates is not discussed.
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(2004)
Nat Rev Drug Discov
, vol.3
, pp. 711-715
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Kola, I.1
Landis, J.2
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2
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13244266921
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Lead- and drug-like compounds: the rule-of-five revolution
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A recent summary of Lipinski's druggability work. The analysis is easily accessible and should give scientist a nice entry to the subject.
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Lipinski C.A. Lead- and drug-like compounds: the rule-of-five revolution. Drug Discov Today: Technologies 1 (2004) 337-341. A recent summary of Lipinski's druggability work. The analysis is easily accessible and should give scientist a nice entry to the subject.
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(2004)
Drug Discov Today: Technologies
, vol.1
, pp. 337-341
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Lipinski, C.A.1
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3
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Druggability: selecting optimized drug candidates
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Sugiyama Y. Druggability: selecting optimized drug candidates. Drug Discov Today 10 (2005) 1577-1579
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(2005)
Drug Discov Today
, vol.10
, pp. 1577-1579
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Sugiyama, Y.1
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4
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Assessment of chemical libraries for their druggability
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Sirois S., Hatzakis G., Wei D., Du Q., and Chou K.C. Assessment of chemical libraries for their druggability. Comput Biol Chem 29 (2005) 55-67
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(2005)
Comput Biol Chem
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Sirois, S.1
Hatzakis, G.2
Wei, D.3
Du, Q.4
Chou, K.C.5
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5
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0036717194
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The druggable genome
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This paper defined and used the term "protein druggability" for the first time. It is easy to read and provides an essential basis to understand the various aspects of protein druggability.
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Hopkins A.L., and Groom C.R. The druggable genome. Nat Rev Drug Discov 1 (2002) 727-730. This paper defined and used the term "protein druggability" for the first time. It is easy to read and provides an essential basis to understand the various aspects of protein druggability.
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(2002)
Nat Rev Drug Discov
, vol.1
, pp. 727-730
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Hopkins, A.L.1
Groom, C.R.2
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6
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0035289779
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Lipinski C.A., Lombardo F., Dominy B.W., and Feeney P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev 46 (2001) 3-26
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(2001)
Adv Drug Deliv Rev
, vol.46
, pp. 3-26
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Lipinski, C.A.1
Lombardo, F.2
Dominy, B.W.3
Feeney, P.J.4
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7
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0037030653
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Molecular properties that influence the oral bioavailability or drugs
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Veber D.F., Johnson S.R., Cheng H.Y., Smith B.R., Ward K.W., and Kopple K.D. Molecular properties that influence the oral bioavailability or drugs. J Med Chem 45 (2002) 2615-2623
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J Med Chem
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Veber, D.F.1
Johnson, S.R.2
Cheng, H.Y.3
Smith, B.R.4
Ward, K.W.5
Kopple, K.D.6
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8
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0037292994
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A structure-permeability study of small drug-like molecules
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Fichert T., Yazdanian M., and Proudfoot J.R. A structure-permeability study of small drug-like molecules. Bioorg Med Chem Lett 13 (2003) 719-722
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(2003)
Bioorg Med Chem Lett
, vol.13
, pp. 719-722
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Fichert, T.1
Yazdanian, M.2
Proudfoot, J.R.3
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9
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0037468884
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A comparison of physicochemical property profiles of development and marketed oral drugs
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Wenlock M.C., Austin R.P., Barton P., Davis A.M., and Leeson P.D. A comparison of physicochemical property profiles of development and marketed oral drugs. J Med Chem 46 (2003) 1250-1256
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J Med Chem
, vol.46
, pp. 1250-1256
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Wenlock, M.C.1
Austin, R.P.2
Barton, P.3
Davis, A.M.4
Leeson, P.D.5
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10
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Selection criteria for drug-like compounds
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Muegge I. Selection criteria for drug-like compounds. Med Res Rev 23 (2003) 302-321
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(2003)
Med Res Rev
, vol.23
, pp. 302-321
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Muegge, I.1
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11
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0347361638
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Characteristic physical properties and structural fragments of marketed drugs
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Vieth M., Siegel M.G., Higgs R.E., Watson I.A., Robertson D.A., Savin K.A., Durst G.L., and Hipskind P.A. Characteristic physical properties and structural fragments of marketed drugs. J Med Chem 47 (2004) 224-232
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(2004)
J Med Chem
, vol.47
, pp. 224-232
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Vieth, M.1
Siegel, M.G.2
Higgs, R.E.3
Watson, I.A.4
Robertson, D.A.5
Savin, K.A.6
Durst, G.L.7
Hipskind, P.A.8
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13
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Lessons from natural molecules
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Clardy J., and Walsh C. Lessons from natural molecules. Nature 432 (2004) 829-837
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(2004)
Nature
, vol.432
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Clardy, J.1
Walsh, C.2
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14
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0037208308
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Property distributions: differences between drugs, natural products and molecules from combinatorial chemistry
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Feher M., and Schmidt J.M. Property distributions: differences between drugs, natural products and molecules from combinatorial chemistry. J Chem Inf Comput Sci 43 (2003) 218-227
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(2003)
J Chem Inf Comput Sci
, vol.43
, pp. 218-227
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Feher, M.1
Schmidt, J.M.2
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15
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0036955427
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Current trend in lead discovery: are we looking for the appropriate properties?
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Oprea T.I. Current trend in lead discovery: are we looking for the appropriate properties?. Mol Divers 5 (2002) 199-208
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(2002)
Mol Divers
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Oprea, T.I.1
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16
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0037439447
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Nonleadlikeness and leadlikeness in biochemical screening
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Rishton G.M. Nonleadlikeness and leadlikeness in biochemical screening. Drug Discov Today 8 (2003) 86-96
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(2003)
Drug Discov Today
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Rishton, G.M.1
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17
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0043069489
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Drug research: myths, hype and reality
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••] arguments about protein druggability.
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••] arguments about protein druggability.
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Nat Rev Drug Discov
, vol.2
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Kubinyi, H.1
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18
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23844542148
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Library design for fragment based screening
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Schuffenhauer A., Ruedisser S., Marzinzik A.L., Jahnke W., Blommers M., Selzer P., and Jacoby E. Library design for fragment based screening. Curr Top Med Chem 5 (2005) 751-762
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Curr Top Med Chem
, vol.5
, pp. 751-762
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Schuffenhauer, A.1
Ruedisser, S.2
Marzinzik, A.L.3
Jahnke, W.4
Blommers, M.5
Selzer, P.6
Jacoby, E.7
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20
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33746037735
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A systems biology approach to target identification and validation for human chronic disease drug discovery
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Knäblein J. (Ed), Wiley-VCH Verlag
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Gould Rothberg B.E., Peña C.E.A., and Rothberg J.M. A systems biology approach to target identification and validation for human chronic disease drug discovery. In: Knäblein J. (Ed). Modern Biopharmaceuticals 1 (2005), Wiley-VCH Verlag 99-125
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(2005)
Modern Biopharmaceuticals
, vol.1
, pp. 99-125
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Gould Rothberg, B.E.1
Peña, C.E.A.2
Rothberg, J.M.3
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21
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29144531173
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The druggable genome: an update
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Russ A.P., and Lampel S. The druggable genome: an update. Drug Discov Today 10 (2005) 1607-1610
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(2005)
Drug Discov Today
, vol.10
, pp. 1607-1610
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Russ, A.P.1
Lampel, S.2
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23
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11144320699
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Navigating chemical space for biology and medicine
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Interesting examination of chemical space and the chances of finding small molecules to modulate biological targets. The authors discuss the strategic differences between the use of compounds as biological tools and compound as drugs.
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Lipinski C., and Hopkins A. Navigating chemical space for biology and medicine. Nature 432 (2004) 855-861. Interesting examination of chemical space and the chances of finding small molecules to modulate biological targets. The authors discuss the strategic differences between the use of compounds as biological tools and compound as drugs.
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(2004)
Nature
, vol.432
, pp. 855-861
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Lipinski, C.1
Hopkins, A.2
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25
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33745025763
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Structural basis for the activation of flaviviral NS3 proteases from dengue and west Nile virus
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Erbel P., Schiering N., D'Arcy A., Renatus M., Kroemer M., Lim S.P., Yin Z., Keller T.H., Vasudevan S.G., and Hommel U. Structural basis for the activation of flaviviral NS3 proteases from dengue and west Nile virus. Nat Struct Mol Biol (2006)
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(2006)
Nat Struct Mol Biol
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Erbel, P.1
Schiering, N.2
D'Arcy, A.3
Renatus, M.4
Kroemer, M.5
Lim, S.P.6
Yin, Z.7
Keller, T.H.8
Vasudevan, S.G.9
Hommel, U.10
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26
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29144483936
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Predicting protein druggability
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This review discusses the determination of druggability-indices by NMR and their application for the computational assessment of proteins with experimental 3D structures. It is easier to read than the rather original, technical publication by the same authors [30].
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Hajduk P.J., Huth J.R., and Tse C. Predicting protein druggability. Drug Discov Today 10 (2005) 1675-1682. This review discusses the determination of druggability-indices by NMR and their application for the computational assessment of proteins with experimental 3D structures. It is easier to read than the rather original, technical publication by the same authors [30].
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(2005)
Drug Discov Today
, vol.10
, pp. 1675-1682
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Hajduk, P.J.1
Huth, J.R.2
Tse, C.3
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27
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33646228824
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Sc-PDB: an annotated database of druggable binding sites from the protein data bank
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Kellenberger E., Muller P., Schalon C., Bret G., Foata N., and Rognan D. Sc-PDB: an annotated database of druggable binding sites from the protein data bank. J Chem Inf Model 46 (2006) 717-727
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J Chem Inf Model
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Kellenberger, E.1
Muller, P.2
Schalon, C.3
Bret, G.4
Foata, N.5
Rognan, D.6
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29
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22644438047
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Chemical genomics for fast and integrated target identification and lead optimization
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Darvas F., Dorman G., Puskas L.G., Bucsai A., and Urge L. Chemical genomics for fast and integrated target identification and lead optimization. Med Chem Res 13 (2004) 643-659
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Med Chem Res
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Darvas, F.1
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33746033147
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Filtering in drug discovery
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Lipinski C.A. Filtering in drug discovery. Ann Rep Comp Chem 1 (2005) 155-168
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Ann Rep Comp Chem
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Lipinski, C.A.1
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31
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17144373303
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Druggability indices for protein targets derived from NMR-based screening data
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Excellent, rather technical, publication about the experimental determination of druggability by NMR. The authors develop druggability indices that can be used for the de novo assessment of proteins.
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Hajduk P.J., Huth J.R., and Fesik S.W. Druggability indices for protein targets derived from NMR-based screening data. J Med Chem 48 (2005) 2518-2525. Excellent, rather technical, publication about the experimental determination of druggability by NMR. The authors develop druggability indices that can be used for the de novo assessment of proteins.
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(2005)
J Med Chem
, vol.48
, pp. 2518-2525
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Hajduk, P.J.1
Huth, J.R.2
Fesik, S.W.3
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32
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Effect of conformational dynamics on predicted protein druggability
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Brown S.P., and Hajduk P.J. Effect of conformational dynamics on predicted protein druggability. Chem Med Chem 1 (2006) 70-72
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Chem Med Chem
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Brown, S.P.1
Hajduk, P.J.2
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Utility of homology models in the drug discovery process
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Hillisch A., Pineda L.F., and Hilgenfeld R. Utility of homology models in the drug discovery process. Drug Discov Today 9 (2004) 659-669
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Drug Discov Today
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Pineda, L.F.2
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Screening drug-like compounds by docking to homology models: a systematic study
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Kairys V., Fernandes M.X., and Gilson M.K. Screening drug-like compounds by docking to homology models: a systematic study. J Chem Inf Model 46 (2006) 365-379
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J Chem Inf Model
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Strategies to move beyond target validation
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Haberman A.B. Strategies to move beyond target validation. Genet Eng News 25 (2005) 36
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Genet Eng News
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How many genomic targets can a portfolio afford?
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Betz U.A.K. How many genomic targets can a portfolio afford?. Drug Discov Today 10 (2005) 1057-1063
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Drug Discov Today
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Small-molecule inhibitors of protein-protein interactions: progressing towards a dream
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Arkin M.R., and Wells J.A. Small-molecule inhibitors of protein-protein interactions: progressing towards a dream. Nat Rev Drug Discov 3 (2004) 301-317
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Nat Rev Drug Discov
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Arkin, M.R.1
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Advancing new drug delivery concepts to gain the lead
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Horspool K.R., and Lipinski C.A. Advancing new drug delivery concepts to gain the lead. Drug Delivery Tech 3 (2003) 34-46
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(2003)
Drug Delivery Tech
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Horspool, K.R.1
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Characterization of protein-ligand interaction sites using experimental and computational methods
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Vajda S., and Guarnieri F. Characterization of protein-ligand interaction sites using experimental and computational methods. Curr Opin Drug Discovery Dev 9 (2006) 354-362
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Curr Opin Drug Discovery Dev
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Vajda, S.1
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