-
1
-
-
84879940679
-
Considering the impact drug-like properties have on the chance of success
-
Yusof, I. and Segall, M.D. (2013) Considering the impact drug-like properties have on the chance of success. Drug Discov. Today 18, 659-666
-
(2013)
Drug Discov. Today
, vol.18
, pp. 659-666
-
-
Yusof, I.1
Segall, M.D.2
-
2
-
-
84856201851
-
Quantifying the chemical beauty of drugs
-
Bickerton, G.R. et al. (2012) Quantifying the chemical beauty of drugs. Nat. Chem. 4, 90-98
-
(2012)
Nat. Chem.
, vol.4
, pp. 90-98
-
-
Bickerton, G.R.1
-
3
-
-
35748934487
-
The influence of drug-like concepts on decision-making in medicinal chemistry
-
Leeson, P.D. and Springthorpe, B. (2007) The influence of drug-like concepts on decision-making in medicinal chemistry. Nat. Rev. Drug Discov. 6, 881-890
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 881-890
-
-
Leeson, P.D.1
Springthorpe, B.2
-
4
-
-
84856846240
-
Impact of lipophilic efficiency on compound quality
-
Tarcsay, A. et al. (2012) Impact of lipophilic efficiency on compound quality. J. Med. Chem. 55, 1252-1260
-
(2012)
J. Med. Chem.
, vol.55
, pp. 1252-1260
-
-
Tarcsay, A.1
-
5
-
-
84889581795
-
Chemical predictive modelling to improve compound quality
-
Cumming, J.G. et al. (2013) Chemical predictive modelling to improve compound quality. Nat. Rev. Drug Discov. 12, 948-962
-
(2013)
Nat. Rev. Drug Discov.
, vol.12
, pp. 948-962
-
-
Cumming, J.G.1
-
6
-
-
77749315417
-
Lipophilicity in drug discovery
-
Waring, M.J. (2010) Lipophilicity in drug discovery. Expert Opin. Drug Discov. 5, 235-248
-
(2010)
Expert Opin. Drug Discov.
, vol.5
, pp. 235-248
-
-
Waring, M.J.1
-
7
-
-
84899498454
-
How drug-like are 'ugly' drugs: Do drug-likeness metrics predict ADME behaviour in human?
-
Ritchie, T.J. and Macdonald, J.F. (2014) How drug-like are 'ugly' drugs: do drug-likeness metrics predict ADME behaviour in human? Drug Discov. Today 19, 489-495
-
(2014)
Drug Discov. Today
, vol.19
, pp. 489-495
-
-
Ritchie, T.J.1
Macdonald, J.F.2
-
8
-
-
67651099102
-
Practical method for targeted library design balancing lead-like properties with diversity
-
Stocks, M.J. et al. (2009) Practical method for targeted library design balancing lead-like properties with diversity. Chem. Med. Chem. 4, 800-808
-
(2009)
Chem. Med. Chem.
, vol.4
, pp. 800-808
-
-
Stocks, M.J.1
-
9
-
-
79959732195
-
Rendezvous in chemical space? Comparing the small molecule compound libraries of Bayer and Schering
-
Schamberger, J. et al. (2011) Rendezvous in chemical space? Comparing the small molecule compound libraries of Bayer and Schering. Drug Discov. Today 16, 636-641
-
(2011)
Drug Discov. Today
, vol.16
, pp. 636-641
-
-
Schamberger, J.1
-
10
-
-
77952716960
-
Molecular shape and medicinal chemistry: A perspective
-
Nicholls, A. et al. (2010) Molecular shape and medicinal chemistry: a perspective. J. Med. Chem. 53, 3862-3886
-
(2010)
J. Med. Chem.
, vol.53
, pp. 3862-3886
-
-
Nicholls, A.1
-
11
-
-
84884590180
-
Big pharma screening collections: More of the same or unique libraries? The AstraZeneca-Bayer Pharma AG case
-
Kogej, T. et al. (2013) Big pharma screening collections: more of the same or unique libraries? The AstraZeneca-Bayer Pharma AG case. Drug Discov. Today 18, 1014-1024
-
(2013)
Drug Discov. Today
, vol.18
, pp. 1014-1024
-
-
Kogej, T.1
-
12
-
-
64549160613
-
Novel chemical space exploration via natural products
-
Rosen, J. et al. (2009) Novel chemical space exploration via natural products. J. Med. Chem. 52, 1953-1962
-
(2009)
J. Med. Chem.
, vol.52
, pp. 1953-1962
-
-
Rosen, J.1
-
13
-
-
33644872086
-
Privileged structures as leads in medicinal chemistry
-
Constantino, L. and Barlocco, D. (2006) Privileged structures as leads in medicinal chemistry. Curr. Med. Chem. 13, 65-85
-
(2006)
Curr. Med. Chem.
, vol.13
, pp. 65-85
-
-
Constantino, L.1
Barlocco, D.2
-
14
-
-
84865491027
-
The developability of heteroaromatic and heteroaliphatic rings: Do some have a better pedigree as potential drug molecules than others?
-
Ritchie, T.J. et al. (2012) The developability of heteroaromatic and heteroaliphatic rings: do some have a better pedigree as potential drug molecules than others? Med. Chem. Commun. 3, 1062-1069
-
(2012)
Med. Chem. Commun.
, vol.3
, pp. 1062-1069
-
-
Ritchie, T.J.1
-
15
-
-
84863856481
-
Mitigating heterocycle metabolism in drug discovery
-
St Jean, D.J. and Fotsch, C. (2012) Mitigating heterocycle metabolism in drug discovery. J. Med. Chem. 55, 6002-6020
-
(2012)
J. Med. Chem.
, vol.55
, pp. 6002-6020
-
-
St Jean, D.J.1
Fotsch, C.2
-
17
-
-
79960161135
-
Systematic enumeration of heteroaromatic ring systems as reagents for use in medicinal chemistry
-
Ward, R.A. and Kettle, J.G. (2011) Systematic enumeration of heteroaromatic ring systems as reagents for use in medicinal chemistry. J. Med. Chem. 54, 4670-4677
-
(2011)
J. Med. Chem.
, vol.54
, pp. 4670-4677
-
-
Ward, R.A.1
Kettle, J.G.2
-
18
-
-
79955002010
-
Data-mining patent literature for novel chemical reagents for use in medicinal chemistry design
-
Kettle, J.G. et al. (2010) Data-mining patent literature for novel chemical reagents for use in medicinal chemistry design. Med. Chem. Commun. 1, 331-338
-
(2010)
Med. Chem. Commun.
, vol.1
, pp. 331-338
-
-
Kettle, J.G.1
-
19
-
-
3242878246
-
Synthesis of chiral building blocks for use in drug discovery
-
Marino, S.T. et al. (2004) Synthesis of chiral building blocks for use in drug discovery. Molecules 9, 405-426
-
(2004)
Molecules
, vol.9
, pp. 405-426
-
-
Marino, S.T.1
-
20
-
-
71049126548
-
Escape from flatland: Increasing saturation as an approach to improving clinical success
-
Lovering, F. et al. (2009) Escape from flatland: increasing saturation as an approach to improving clinical success. J. Med. Chem. 52, 6752-6756
-
(2009)
J. Med. Chem.
, vol.52
, pp. 6752-6756
-
-
Lovering, F.1
-
21
-
-
79955419410
-
Synopsis of some recent tactical application of bioisosteres in drug design
-
Meanwell, N.A. (2011) Synopsis of some recent tactical application of bioisosteres in drug design. J. Med. Chem. 54, 2529-2591
-
(2011)
J. Med. Chem.
, vol.54
, pp. 2529-2591
-
-
Meanwell, N.A.1
-
22
-
-
84883259434
-
Sulfoximines: A neglected opportunity in medicinal chemistry
-
Lücking, U. (2013) Sulfoximines: a neglected opportunity in medicinal chemistry. Angew. Chem. Int. Ed. 52, 9399-9408
-
(2013)
Angew. Chem. Int. Ed.
, vol.52
, pp. 9399-9408
-
-
Lücking, U.1
-
23
-
-
84949116407
-
General synthetic strategies towards N-alkyl sulfoximine building blocks for medicinal chemistry and the use of dimethylsulfoximine as a versatile precursor
-
Goldberg, F.W. et al. (2014) General synthetic strategies towards N-alkyl sulfoximine building blocks for medicinal chemistry and the use of dimethylsulfoximine as a versatile precursor. Tetrahedron http://dx.doi.org/10.1016/j.tet.2014.06.120
-
(2014)
Tetrahedron
-
-
Goldberg, F.W.1
-
24
-
-
75749105013
-
Drug and drug candidate building block analysis
-
Wang, J. and Hou, T. (2010) Drug and drug candidate building block analysis. J. Chem. Inf. Model. 50, 55-67
-
(2010)
J. Chem. Inf. Model.
, vol.50
, pp. 55-67
-
-
Wang, J.1
Hou, T.2
-
25
-
-
84871019425
-
Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors
-
Goldberg, F.W. et al. (2012) Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors. J. Med. Chem. 55, 10652-10661
-
(2012)
J. Med. Chem.
, vol.55
, pp. 10652-10661
-
-
Goldberg, F.W.1
-
26
-
-
84876710502
-
Triazolopyrimidinones as gamma-secretase modulators: Structure-activity relationship, modulator profile, and in vivo profiling
-
Yngve, U. et al. (2013) Triazolopyrimidinones as gamma-secretase modulators: structure-activity relationship, modulator profile, and in vivo profiling. Med. Chem. Commun. 4, 422-431
-
(2013)
Med. Chem. Commun.
, vol.4
, pp. 422-431
-
-
Yngve, U.1
-
27
-
-
0031024171
-
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
-
Lipinski, C.A. et al. (1997) Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Deliv. Rev. 23, 3-25
-
(1997)
Adv. Drug Deliv. Rev.
, vol.23
, pp. 3-25
-
-
Lipinski, C.A.1
-
28
-
-
0035438391
-
Is there a difference between leads and drugs? A historical perspective
-
Oprea, T.I. et al. (2001) Is there a difference between leads and drugs? A historical perspective. J. Chem. Inf. Comput. Sci. 41, 1308-1315
-
(2001)
J. Chem. Inf. Comput. Sci.
, vol.41
, pp. 1308-1315
-
-
Oprea, T.I.1
-
29
-
-
0141726877
-
'Rule of three' for fragment-based lead discovery?
-
Congreve, M. et al. (2003) 'Rule of three' for fragment-based lead discovery? Drug Discov. Today 8, 876-877
-
(2003)
Drug Discov. Today
, vol.8
, pp. 876-877
-
-
Congreve, M.1
-
30
-
-
84856134589
-
Lead-oriented synthesis: A new opportunity for synthetic chemistry
-
Nadin, A. et al. (2012) Lead-oriented synthesis: a new opportunity for synthetic chemistry. Angew. Chem. Int. Ed. 51, 1114-1122
-
(2012)
Angew. Chem. Int. Ed.
, vol.51
, pp. 1114-1122
-
-
Nadin, A.1
-
31
-
-
79551469886
-
Synthetic approaches to the 2009 new drugs
-
Liu, K.K. et al. (2011) Synthetic approaches to the 2009 new drugs. Bioorg. Med. Chem. 19, 1136-1154
-
(2011)
Bioorg. Med. Chem.
, vol.19
, pp. 1136-1154
-
-
Liu, K.K.1
-
32
-
-
84856220950
-
Synthetic approaches to the 2010 new drugs
-
Liu, K.K. et al. (2012) Synthetic approaches to the 2010 new drugs. Bioorg. Med. Chem. 20, 1155-1174
-
(2012)
Bioorg. Med. Chem.
, vol.20
, pp. 1155-1174
-
-
Liu, K.K.1
-
33
-
-
84877816081
-
Synthetic approaches to the 2011 new drugs
-
Ding, H.X. et al. (2013) Synthetic approaches to the 2011 new drugs. Bioorg. Med. Chem. 21, 2795-2825
-
(2013)
Bioorg. Med. Chem.
, vol.21
, pp. 2795-2825
-
-
Ding, H.X.1
-
34
-
-
84897421694
-
Synthetic approaches to the 2012 new drugs
-
Ding, H.X. et al. (2014) Synthetic approaches to the 2012 new drugs. Bioorg. Med. Chem. 22, 2005-2032
-
(2014)
Bioorg. Med. Chem.
, vol.22
, pp. 2005-2032
-
-
Ding, H.X.1
-
35
-
-
33745079610
-
Analysis of the reactions used for the preparation of drug candidate molecules
-
Carey, J.S. et al. (2006) Analysis of the reactions used for the preparation of drug candidate molecules. Org. Biomol. Chem. 4, 2337-2347
-
(2006)
Org. Biomol. Chem.
, vol.4
, pp. 2337-2347
-
-
Carey, J.S.1
-
36
-
-
79957698619
-
The medicinal chemist's toolbox: An analysis of reactions used in the pursuit of drug candidates
-
Roughley, S.D. and Jordan, A.M. (2011) The medicinal chemist's toolbox: an analysis of reactions used in the pursuit of drug candidates. J. Med. Chem. 54, 3451-3479
-
(2011)
J. Med. Chem.
, vol.54
, pp. 3451-3479
-
-
Roughley, S.D.1
Jordan, A.M.2
-
37
-
-
78249273274
-
Factors determining the selection of organic reactions by medicinal chemists and the use of these reactions in arrays (small focused libraries)
-
Cooper, T.W.J. et al. (2010) Factors determining the selection of organic reactions by medicinal chemists and the use of these reactions in arrays (small focused libraries). Angew. Chem. Int. Ed. 49, 8082-8091
-
(2010)
Angew. Chem. Int. Ed.
, vol.49
, pp. 8082-8091
-
-
Cooper, T.W.J.1
-
38
-
-
84861495297
-
Probing the bioactivity-relevant chemical space of robust reactions and common molecular building blocks
-
Hartenfeller, M. et al. (2012) Probing the bioactivity-relevant chemical space of robust reactions and common molecular building blocks. J. Chem. Inf. Model. 52, 1167-1178
-
(2012)
J. Chem. Inf. Model.
, vol.52
, pp. 1167-1178
-
-
Hartenfeller, M.1
-
39
-
-
84896728348
-
Scaffold mining of kinase hinge binders in crystal structure database
-
Xing, L. et al. (2014) Scaffold mining of kinase hinge binders in crystal structure database. J. Comput. Aided Mol. Des. 28, 13-23
-
(2014)
J. Comput. Aided Mol. Des.
, vol.28
, pp. 13-23
-
-
Xing, L.1
-
40
-
-
84889024686
-
Models for open innovation in the pharmaceutical industry
-
Schuhmacher, A. et al. (2013) Models for open innovation in the pharmaceutical industry. Drug Discov. Today 18, 1133-1137
-
(2013)
Drug Discov. Today
, vol.18
, pp. 1133-1137
-
-
Schuhmacher, A.1
-
41
-
-
84894094150
-
Open innovation drug discovery (OIDD): A potential path to novel therapeutic chemical space
-
Alvim-Gaston, M. et al. (2014) Open innovation drug discovery (OIDD): a potential path to novel therapeutic chemical space. Curr. Top. Med. Chem. 14, 294-303
-
(2014)
Curr. Top. Med. Chem.
, vol.14
, pp. 294-303
-
-
Alvim-Gaston, M.1
-
42
-
-
84884588078
-
Open innovation and intellectual property: Time for a reboot?
-
Judd, D.B. (2013) Open innovation and intellectual property: time for a reboot? Drug Discov. Today 18, 907-909
-
(2013)
Drug Discov. Today
, vol.18
, pp. 907-909
-
-
Judd, D.B.1
|