-
1
-
-
67649341990
-
From fragment to clinical candidate - A historical perspective
-
G. Chessari, and A.J. Woodhead From fragment to clinical candidate - a historical perspective Drug Discov. Today 14 2009 668 675
-
(2009)
Drug Discov. Today
, vol.14
, pp. 668-675
-
-
Chessari, G.1
Woodhead, A.J.2
-
2
-
-
77952546241
-
Drugging challenging targets using fragment-based approaches
-
A.G. Coyne Drugging challenging targets using fragment-based approaches Curr. Opin. Chem. Biol. 14 2010 299 307
-
(2010)
Curr. Opin. Chem. Biol.
, vol.14
, pp. 299-307
-
-
Coyne, A.G.1
-
3
-
-
67649494337
-
Transforming fragments into candidates: Small becomes big in medicinal chemistry
-
G.E. de Kloe Transforming fragments into candidates: small becomes big in medicinal chemistry Drug Discov. Today 14 2009 630 646
-
(2009)
Drug Discov. Today
, vol.14
, pp. 630-646
-
-
De Kloe, G.E.1
-
4
-
-
33847381100
-
A decade of fragment-based drug design: Strategic advances and lessons learned
-
P.J. Hadjuk, and J. Greer A decade of fragment-based drug design: strategic advances and lessons learned Nat. Rev. Drug Discov. 6 2007 211 219
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 211-219
-
-
Hadjuk, P.J.1
Greer, J.2
-
5
-
-
67650951150
-
The multiple roles of computational chemistry in fragment-based drug design
-
R. Law The multiple roles of computational chemistry in fragment-based drug design J. Comput. Aided Mol. Des. 23 2009 459 473
-
(2009)
J. Comput. Aided Mol. Des.
, vol.23
, pp. 459-473
-
-
Law, R.1
-
6
-
-
33747595638
-
Fragment screening: An introduction
-
A.R. Leach Fragment screening: an introduction Mol. Biosyst. 2 2006 429 446
-
(2006)
Mol. Biosyst.
, vol.2
, pp. 429-446
-
-
Leach, A.R.1
-
7
-
-
46849089254
-
Recent developments in fragment-based drug discovery
-
M. Congreve Recent developments in fragment-based drug discovery J. Med. Chem. 51 2008 3661 3680
-
(2008)
J. Med. Chem.
, vol.51
, pp. 3661-3680
-
-
Congreve, M.1
-
8
-
-
0001462919
-
Three-dimensional pharmacophoric pattern searching
-
P. Gund Three-dimensional pharmacophoric pattern searching Prog. Mol. Subcell. Biol. 5 1977 117 143
-
(1977)
Prog. Mol. Subcell. Biol.
, vol.5
, pp. 117-143
-
-
Gund, P.1
-
9
-
-
17744375980
-
Eleven years of structure retrieval using the SK&F fragment codes
-
P.N. Craig, and H.M. Ebert Eleven years of structure retrieval using the SK&F fragment codes J. Chem. Doc. 9 1969 141 146
-
(1969)
J. Chem. Doc.
, vol.9
, pp. 141-146
-
-
Craig, P.N.1
Ebert, H.M.2
-
10
-
-
0016381211
-
Substructural analysis. A novel approach to the problem of drug design
-
R.D. Cramer III Substructural analysis. A novel approach to the problem of drug design J. Med. Chem. 17 1974 533 535
-
(1974)
J. Med. Chem.
, vol.17
, pp. 533-535
-
-
Cramer III, R.D.1
-
11
-
-
0001871136
-
Hit-to-lead chemistry: A key element in new lead generation
-
W.F. Michne Hit-to-lead chemistry: a key element in new lead generation Pharmaceut. News 3 1996 19 21
-
(1996)
Pharmaceut. News
, vol.3
, pp. 19-21
-
-
Michne, W.F.1
-
12
-
-
0029836953
-
Discovering high-affinity ligands for proteins: SAR by NMR
-
S.B. Shuker Discovering high-affinity ligands for proteins: SAR by NMR Science 274 1996 1531 1534
-
(1996)
Science
, vol.274
, pp. 1531-1534
-
-
Shuker, S.B.1
-
13
-
-
0021871375
-
A computational procedure for determining energetically favourable binding sites on biologically important macromolecules
-
P.J. Goodford A computational procedure for determining energetically favourable binding sites on biologically important macromolecules J. Med. Chem. 28 1985 849 857
-
(1985)
J. Med. Chem.
, vol.28
, pp. 849-857
-
-
Goodford, P.J.1
-
14
-
-
0029868304
-
Locating and characterizing binding sites on proteins
-
C. Mattos, and D. Ringe Locating and characterizing binding sites on proteins Nat. Biotechnol. 14 1996 595 599
-
(1996)
Nat. Biotechnol.
, vol.14
, pp. 595-599
-
-
Mattos, C.1
Ringe, D.2
-
15
-
-
0025916872
-
Functionality maps of binding sites: A multiple copy simultaneous search method
-
A. Miranker, and A. Karplus Functionality maps of binding sites: a multiple copy simultaneous search method Proteins 11 1991 29 34
-
(1991)
Proteins
, vol.11
, pp. 29-34
-
-
Miranker, A.1
Karplus, A.2
-
16
-
-
74249098563
-
Fragment-based cocktail crystallography by the medical structural genomics of pathogenic protozoa consortium
-
C.L.M.J. Verlinde Fragment-based cocktail crystallography by the medical structural genomics of pathogenic protozoa consortium Curr. Top. Med. Chem. 9 2009 1678 1687
-
(2009)
Curr. Top. Med. Chem.
, vol.9
, pp. 1678-1687
-
-
Verlinde, C.L.M.J.1
-
17
-
-
0033773899
-
Discovering novel ligands for macromolecules using X-ray crystallographic screening
-
V.L. Nienaber Discovering novel ligands for macromolecules using X-ray crystallographic screening Nat. Biotechnol. 18 2000 1105 1108
-
(2000)
Nat. Biotechnol.
, vol.18
, pp. 1105-1108
-
-
Nienaber, V.L.1
-
18
-
-
84864878309
-
Fragment-based lead discovery and optimization using X-ray crystallography, computational chemistry and high-throughput organic synthesis
-
J. Blaney Fragment-based lead discovery and optimization using X-ray crystallography, computational chemistry and high-throughput organic synthesis W. Jahnke, D.A. Erlanson, Fragment Based Approaches in Drug Discovery 2006 Wiley-VCH 55 66
-
(2006)
Fragment Based Approaches in Drug Discovery
, pp. 55-66
-
-
Blaney, J.1
-
19
-
-
12344318177
-
Fragment-based lead discovery using X-ray crystallography
-
M.J. Hartshorn Fragment-based lead discovery using X-ray crystallography J. Med. Chem. 48 2005 403 413
-
(2005)
J. Med. Chem.
, vol.48
, pp. 403-413
-
-
Hartshorn, M.J.1
-
20
-
-
1642288258
-
Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimisation. A promising alternative to random screening
-
H.J. Boehm Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimisation. A promising alternative to random screening J. Med. Chem. 43 2000 2664 2674
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2664-2674
-
-
Boehm, H.J.1
-
21
-
-
36248956723
-
The SeeDs approach: Integrating fragments into drug discovery
-
R.E. Hubbard The SeeDs approach: integrating fragments into drug discovery Curr. Top. Med. Chem. 7 2007 1568 1581
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1568-1581
-
-
Hubbard, R.E.1
-
22
-
-
0141726877
-
A 'rule of three' for fragment-based lead discovery?
-
M. Congreve A 'rule of three' for fragment-based lead discovery? Drug Discov.Today 8 2003 876 877
-
(2003)
Drug Discov.Today
, vol.8
, pp. 876-877
-
-
Congreve, M.1
-
23
-
-
1942453243
-
Ligand efficiency: A useful metric for lead selection
-
A.L. Hopkins Ligand efficiency: a useful metric for lead selection Drug Discov. Today 9 2004 430 431
-
(2004)
Drug Discov. Today
, vol.9
, pp. 430-431
-
-
Hopkins, A.L.1
-
24
-
-
36348998688
-
Fragment based drug discovery using fluorescence correlation spectroscopy techniques: Challenges and solutions
-
T. Hesterkamp Fragment based drug discovery using fluorescence correlation spectroscopy techniques: challenges and solutions Curr. Top. Med. Chem. 7 2007 1582 1591
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1582-1591
-
-
Hesterkamp, T.1
-
25
-
-
20844437061
-
A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design
-
G.L. Card A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design Nat. Biotechnol. 23 2005 201 207
-
(2005)
Nat. Biotechnol.
, vol.23
, pp. 201-207
-
-
Card, G.L.1
-
26
-
-
44949211332
-
Fragment-based activity space: Smaller is better
-
T. Hesterkamp, and M. Whittaker Fragment-based activity space: smaller is better Curr. Opin. Chem. Biol. 12 2008 260 268
-
(2008)
Curr. Opin. Chem. Biol.
, vol.12
, pp. 260-268
-
-
Hesterkamp, T.1
Whittaker, M.2
-
27
-
-
36248997755
-
Fragment-based drug discovery: What has it achieved so far?
-
A.A. Alex, and M.M. Flocco Fragment-based drug discovery: what has it achieved so far? Curr. Top. Med. Chem. 7 2007 1544 1567
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1544-1567
-
-
Alex, A.A.1
Flocco, M.M.2
-
28
-
-
67049133236
-
Fragment-based identification of Hsp90 inhibitors
-
J.J. Barker Fragment-based identification of Hsp90 inhibitors ChemMedChem 4 2009 963 966
-
(2009)
ChemMedChem
, vol.4
, pp. 963-966
-
-
Barker, J.J.1
-
29
-
-
77957655200
-
Discovery of a novel Hsp90 inhibitor by fragment linking
-
J.J. Barker Discovery of a novel Hsp90 inhibitor by fragment linking ChemMedChem 5 2010 1697 1700
-
(2010)
ChemMedChem
, vol.5
, pp. 1697-1700
-
-
Barker, J.J.1
-
30
-
-
36249028775
-
SPR-based fragment screening: Advantages and applications
-
T. Neumann SPR-based fragment screening: advantages and applications Curr. Top. Med. Chem. 7 2007 1630 1642
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1630-1642
-
-
Neumann, T.1
-
31
-
-
14144250362
-
TINS, target immobilized NMR screening: An efficient and sensitive method for ligand discovery
-
S. Vanwetswinkel TINS, target immobilized NMR screening: an efficient and sensitive method for ligand discovery Chem. Biol. 12 2005 207 216
-
(2005)
Chem. Biol.
, vol.12
, pp. 207-216
-
-
Vanwetswinkel, S.1
-
32
-
-
47149092363
-
Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry
-
M.T. Cancilla Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry Bioorg. Med. Chem. Lett. 18 2008 3978 3981
-
(2008)
Bioorg. Med. Chem. Lett.
, vol.18
, pp. 3978-3981
-
-
Cancilla, M.T.1
-
33
-
-
70449586603
-
Fragment-based discovery of BACE1 inhibitors using functional assays
-
R. Godemann Fragment-based discovery of BACE1 inhibitors using functional assays Biochemistry 48 2009 10743 10751
-
(2009)
Biochemistry
, vol.48
, pp. 10743-10751
-
-
Godemann, R.1
-
34
-
-
77955655180
-
Fragment based discovery and optimisation of BACE1 inhibitors
-
J. Madden Fragment based discovery and optimisation of BACE1 inhibitors Bioorg. Med. Chem. Lett. 20 2010 5329 5333
-
(2010)
Bioorg. Med. Chem. Lett.
, vol.20
, pp. 5329-5333
-
-
Madden, J.1
-
35
-
-
36248944181
-
An integrated approach to fragment-based lead generation: Philosophy, strategy and case studies from AstraZeneca's drug discovery programmes
-
J.S. Albert An integrated approach to fragment-based lead generation: philosophy, strategy and case studies from AstraZeneca's drug discovery programmes Curr. Top. Med. Chem. 7 2007 1600 1629
-
(2007)
Curr. Top. Med. Chem.
, vol.7
, pp. 1600-1629
-
-
Albert, J.S.1
-
36
-
-
72049110269
-
Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening
-
L.R. McLean Discovery of covalent inhibitors for MIF tautomerase via cocrystal structures with phantom hits from virtual screening Bioorg. Med. Chem. Lett. 19 2009 6717 6720
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 6717-6720
-
-
McLean, L.R.1
-
37
-
-
77649191789
-
Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site
-
L.R. McLean Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site Bioorg. Med. Chem. Lett. 20 2010 1821 1824
-
(2010)
Bioorg. Med. Chem. Lett.
, vol.20
, pp. 1821-1824
-
-
McLean, L.R.1
-
38
-
-
33847381100
-
A decade of fragment-based drug design: Strategic advances and lessons learned
-
P.J. Hajduk, and J. Greer A decade of fragment-based drug design: strategic advances and lessons learned Nat. Rev. Drug Discov. 6 2007 211 219
-
(2007)
Nat. Rev. Drug Discov.
, vol.6
, pp. 211-219
-
-
Hajduk, P.J.1
Greer, J.2
-
39
-
-
0000721543
-
Fragment molecular orbital method: An approximate computational method for large molecules
-
PII S000926149900874X
-
K. Kitaura Fragment molecular orbital method: an approximate computational method for large molecules Chem. Phys. Lett. 313 1999 701 706 (Pubitemid 129556715)
-
(1999)
Chemical Physics Letters
, vol.313
, Issue.3-4
, pp. 701-706
-
-
Kitaura, K.1
Ikeo, E.2
Asada, T.3
Nakano, T.4
Uebayasi, M.5
-
40
-
-
52049123291
-
Do enthalpy and entropy distinguish first in class from best in class?
-
E. Freire Do enthalpy and entropy distinguish first in class from best in class? Drug Discov. Today 13 2008 869 874
-
(2008)
Drug Discov. Today
, vol.13
, pp. 869-874
-
-
Freire, E.1
-
41
-
-
43049111044
-
'Virtual Fragment Linking': An approach to identify potent binders from low affinity fragment hits
-
T.J. Crisman 'Virtual Fragment Linking': an approach to identify potent binders from low affinity fragment hits J. Med. Chem. 51 2008 2481 2491
-
(2008)
J. Med. Chem.
, vol.51
, pp. 2481-2491
-
-
Crisman, T.J.1
-
42
-
-
67651094164
-
Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor
-
Y. Tanrikulu Homology model adjustment and ligand screening with a pseudoreceptor of the human histamine H4 receptor ChemMedChem 4 2009 820 827
-
(2009)
ChemMedChem
, vol.4
, pp. 820-827
-
-
Tanrikulu, Y.1
-
43
-
-
43049083344
-
Fragment based design of new H4 receptor-ligands with anti-inflammatory properties in vivo
-
R.A. Smits Fragment based design of new H4 receptor-ligands with anti-inflammatory properties in vivo J. Med. Chem. 51 2008 2457 2467
-
(2008)
J. Med. Chem.
, vol.51
, pp. 2457-2467
-
-
Smits, R.A.1
-
44
-
-
48249108744
-
Integrating HTS and fragment-based drug discovery
-
J. Barker Integrating HTS and fragment-based drug discovery Drug Discov. World Summer 2008 67 73
-
(2008)
Drug Discov. World
, pp. 67-73
-
-
Barker, J.1
-
45
-
-
11144282711
-
Ab initio quantum mechanical study of the binding energies of human estrogen receptor alpha with its ligands: An application of fragment molecular orbital method
-
K. Fukuzawa Ab initio quantum mechanical study of the binding energies of human estrogen receptor alpha with its ligands: an application of fragment molecular orbital method J. Comp. Chem. 26 2005 1 10
-
(2005)
J. Comp. Chem.
, vol.26
, pp. 1-10
-
-
Fukuzawa, K.1
-
46
-
-
34548243709
-
Extending the power of quantum chemistry to large systems with the fragment molecular orbital method
-
D.G. Fedorov, and K. Kitaura Extending the power of quantum chemistry to large systems with the fragment molecular orbital method J. Phys. Chem. A 111 2007 6904 6914
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 6904-6914
-
-
Fedorov, D.G.1
Kitaura, K.2
-
47
-
-
53849100693
-
Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: Specification of residues associated with ligand inducible information transmission
-
M. Ito Ab initio fragment molecular orbital study of molecular interactions in liganded retinoid X receptor: specification of residues associated with ligand inducible information transmission J. Phys. Chem. B 112 2008 12081 12094
-
(2008)
J. Phys. Chem. B
, vol.112
, pp. 12081-12094
-
-
Ito, M.1
-
48
-
-
46449112342
-
Cl-π interactions in protein-ligand complexes
-
Y.N. Imai Cl-π interactions in protein-ligand complexes Protein Sci. 17 2008 1129 1137
-
(2008)
Protein Sci.
, vol.17
, pp. 1129-1137
-
-
Imai, Y.N.1
|