-
1
-
-
33644846857
-
Small molecules: The missing link in the central dogma
-
Schreiber, S. L. Small Molecules: The Missing Link in the Central Dogma. Nature Chem. Biol. 2005, 1, 64-66.
-
(2005)
Nature Chem. Biol.
, vol.1
, pp. 64-66
-
-
Schreiber, S.L.1
-
2
-
-
1842532337
-
Chemogenomics: An emerging strategy for rapid target and drug discovery
-
Bredel, M.; Jacoby, E. Chemogenomics: An Emerging Strategy for Rapid Target and Drug Discovery. Nature Rev. Genet. 2004, 5, 262-275.
-
(2004)
Nature Rev. Genet.
, vol.5
, pp. 262-275
-
-
Bredel, M.1
Jacoby, E.2
-
3
-
-
0037394124
-
Designing screens: How to make your hits a hit
-
Walters, W. P.; Namchuk, M. Designing Screens: How to Make your Hits a Hit. Nature Rev. Drug Discovery 2003, 2, 259-266.
-
(2003)
Nature Rev. Drug Discovery
, vol.2
, pp. 259-266
-
-
Walters, W.P.1
Namchuk, M.2
-
4
-
-
0036047069
-
Drug discovery by dynamic combinatorial libraries
-
Ramström, O.; Lehn, J.-M. Drug Discovery by Dynamic Combinatorial Libraries. Nature Rev. Drug Discovery 2002, 1, 26-36.
-
(2002)
Nature Rev. Drug Discovery
, vol.1
, pp. 26-36
-
-
Ramström, O.1
Lehn, J.-M.2
-
5
-
-
0033964118
-
High-throughput and ultrahigh-throughput screening: Solution- and cell-based approaches
-
Sundberg, S. A. High-Throughput and Ultrahigh-Throughput Screening: Solution- and Cell-Based Approaches. Curr. Opin. Biotechnol. 2000, 11, 47-53.
-
(2000)
Curr. Opin. Biotechnol.
, vol.11
, pp. 47-53
-
-
Sundberg, S.A.1
-
6
-
-
0029240364
-
Predicting ligand binding to proteins by affinity fingerprinting
-
Kauvar, L. M.; Higgins, D. L.; Villar, H. O.; Sportsman, J. R.; Engqvist-Goldstein, A.; Bukar, R.; Bauer, K. E.; Dilley, H.; Rocke, D. M. Predicting Ligand Binding to Proteins by Affinity Fingerprinting. Chem. Biol. 1995, 2, 107-118.
-
(1995)
Chem. Biol.
, vol.2
, pp. 107-118
-
-
Kauvar, L.M.1
Higgins, D.L.2
Villar, H.O.3
Sportsman, J.R.4
Engqvist-Goldstein, A.5
Bukar, R.6
Bauer, K.E.7
Dilley, H.8
Rocke, D.M.9
-
7
-
-
0031035181
-
An information-intensive approach to the molecular pharmacology of cancer
-
Weinstein, J. N.; Myers, T. G.; O'Connor, T. M.; Friend, S. H.; Fornace, A. J., Jr.; Kohn, K. W.; Fojo, T.; Bates, S. E.; Rubinstein, L. V.; Anderson, N. L.; Buolamwini, J. K.; van Osdol, W. W.; Monks, A. P.; Scudiero, D. A.; Sausville, E. A.; Zaharevitz, D. W.; Bunow, B.; Viswanadhan, V. N.; Johnson, G. S.; Wittes, R. E.; Paull, K. D. An Information-Intensive Approach to the Molecular Pharmacology of Cancer. Science 1997, 275, 343-349.
-
(1997)
Science
, vol.275
, pp. 343-349
-
-
Weinstein, J.N.1
Myers, T.G.2
O'Connor, T.M.3
Friend, S.H.4
Fornace Jr., A.J.5
Kohn, K.W.6
Fojo, T.7
Bates, S.E.8
Rubinstein, L.V.9
Anderson, N.L.10
Buolamwini, J.K.11
Van Osdol, W.W.12
Monks, A.P.13
Scudiero, D.A.14
Sausville, E.A.15
Zaharevitz, D.W.16
Bunow, B.17
Viswanadhan, V.N.18
Johnson, G.S.19
Wittes, R.E.20
Paull, K.D.21
more..
-
8
-
-
0033199751
-
Printing small molecules as microarrays and detecting protein-ligand interactions en masse
-
MacBeath, G.; Koehler, A. N.; Schreiber, S. L. Printing Small Molecules as Microarrays and Detecting Protein-Ligand Interactions en Masse. J. Am. Chem. Soc. 1999, 121, 7967-7968.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 7967-7968
-
-
MacBeath, G.1
Koehler, A.N.2
Schreiber, S.L.3
-
9
-
-
0035846172
-
From hit to lead: Analyzing structure-profile relationships
-
Poulain, R.; Horvath D.; Bonnet, B.; Eckhoff, C.; Chapelain, B.; Bodinier, M.-C.; Déprez, B. From Hit to Lead: Analyzing Structure-Profile Relationships. J. Med. Chem. 2001, 44, 3391-3401.
-
(2001)
J. Med. Chem.
, vol.44
, pp. 3391-3401
-
-
Poulain, R.1
Horvath, D.2
Bonnet, B.3
Eckhoff, C.4
Chapelain, B.5
Bodinier, M.-C.6
Déprez, B.7
-
10
-
-
0037075063
-
Mining the National Cancer Institute's tumor screening database: Identification of compounds with similar cellular activities
-
Rabow, A. A.; Shoemaker, R. H.; Sausville, E. A.; Covell, D. G. Mining the National Cancer Institute's Tumor Screening Database: Identification of Compounds with Similar Cellular Activities. J. Med. Chem. 2002, 45, 818-840.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 818-840
-
-
Rabow, A.A.1
Shoemaker, R.H.2
Sausville, E.A.3
Covell, D.G.4
-
11
-
-
0036775883
-
Small molecule affinity fingerprinting: A tool for enzyme family subclassification, target identification, and inhibitor design
-
Greenbaum, D. C.; Arnold, W. D.; Lu, F.; Hayrapetian, L.; Baruch, A.; Krumrine, J.; Toba, S.; Chehade, K.; Brömme, D.; Kuntz, I. D.; Bogyo, M. Small Molecule Affinity Fingerprinting: A Tool for Enzyme Family Subclassification, Target Identification, and Inhibitor Design. Chem. Biol. 2002, 9, 1085-1094.
-
(2002)
Chem. Biol.
, vol.9
, pp. 1085-1094
-
-
Greenbaum, D.C.1
Arnold, W.D.2
Lu, F.3
Hayrapetian, L.4
Baruch, A.5
Krumrine, J.6
Toba, S.7
Chehade, K.8
Brömme, D.9
Kuntz, I.D.10
Bogyo, M.11
-
12
-
-
4644264129
-
An integrative biology approach for analysis of drug action in models of human vascular inflammation
-
Kunkel, E. J.; Dea, M.; Ebens, A.; Hytopoulos, E.; Melrose, J.; Nguyen, D.; Ota, K. S.; Plavec, I.; Wang, Y.; Watson, S. R.; Butcher, E. C.; Berg, E. L. An Integrative Biology Approach for Analysis of Drug Action in Models of Human Vascular Inflammation. FASEB J. 2004, 18, 1279-1281.
-
(2004)
FASEB J.
, vol.18
, pp. 1279-1281
-
-
Kunkel, E.J.1
Dea, M.2
Ebens, A.3
Hytopoulos, E.4
Melrose, J.5
Nguyen, D.6
Ota, K.S.7
Plavec, I.8
Wang, Y.9
Watson, S.R.10
Butcher, E.C.11
Berg, E.L.12
-
13
-
-
9144268287
-
Chemogenomic profiling: Identifying the functional interactions of small molecules in yeast
-
Giaever, G.; Flaherty, P.; Kumm, J.; Proctor, M.; Nislow, C.; Jaramillo, D. F.; Chu, A. M.; Jordan, M. L; Arkin, A. P.; Davis, R. W. Chemogenomic Profiling: Identifying the Functional Interactions of Small Molecules in Yeast. Proc. Natl. Acad. Sci. U.S.A. 2004, 101, 793-798.
-
(2004)
Proc. Natl. Acad. Sci. U.S.A.
, vol.101
, pp. 793-798
-
-
Giaever, G.1
Flaherty, P.2
Kumm, J.3
Proctor, M.4
Nislow, C.5
Jaramillo, D.F.6
Chu, A.M.7
Jordan, M.L.8
Arkin, A.P.9
Davis, R.W.10
-
14
-
-
5144226566
-
Predicting drug sensitivity and resistance: Profiling ABC transporter genes in cancer cells
-
Szakács, G.; Annereau, J.-P.; Lababidi, S.; Shankavaram, U.; Arciello, A.; Bussey, K. J.; Reinhold, W.; Guo, Y.; Kruh, G. D.; Reimers, M.; Weinstein, J. N.; Gottesman, M. M. Predicting Drug Sensitivity and Resistance: Profiling ABC Transporter Genes in Cancer Cells. Cancer Cell 2004, 6, 129-137.
-
(2004)
Cancer Cell
, vol.6
, pp. 129-137
-
-
Szakács, G.1
Annereau, J.-P.2
Lababidi, S.3
Shankavaram, U.4
Arciello, A.5
Bussey, K.J.6
Reinhold, W.7
Guo, Y.8
Kruh, G.D.9
Reimers, M.10
Weinstein, J.N.11
Gottesman, M.M.12
-
15
-
-
4644271084
-
Magic shotguns versus magic bullets: Selectively non-selective drugs for mood disorders and schizophrenia
-
Roth, B. L.; Sheffler, D. J.; Kroeze, W. K. Magic Shotguns versus Magic Bullets: Selectively Non-Selective Drugs for Mood Disorders and Schizophrenia. Nature Rev. Drug Discovery 2004, 3, 353-359.
-
(2004)
Nature Rev. Drug Discovery
, vol.3
, pp. 353-359
-
-
Roth, B.L.1
Sheffler, D.J.2
Kroeze, W.K.3
-
16
-
-
19744365702
-
A small molecule-kinase interaction map for clinical kinase inhibitors
-
Fabian, M. A.; Biggs, W. H., III; Treiber, D. K.; Atteridge, C. E.; Azimioara, M. D.; Benedetti, M. G.; Carter, T. A.; Ciceri, P.; Edeen, P. T.; Floyd, M.; Ford, J. M.; Galvin, M.; Gerlach, J. L.; Grotzfeld, R. M.; Herrgard, S.; Insko, D. E.; Insko, M. A.; Lai, A. G.; Lélias, J.-M.; Mehta, S. A.; Milanov, Z. V.; Velasco, A. M.; Wodicka, L. M.; Patel, H. K.; Zarrinkar, P. P.; Lockhart, D. J. A Small Molecule-Kinase Interaction Map for Clinical Kinase Inhibitors. Nature Biotechnol. 2005, 23, 329-336.
-
(2005)
Nature Biotechnol.
, vol.23
, pp. 329-336
-
-
Fabian, M.A.1
Iii, B.W.H.2
Treiber, D.K.3
Atteridge, C.E.4
Azimioara, M.D.5
Benedetti, M.G.6
Carter, T.A.7
Ciceri, P.8
Edeen, P.T.9
Floyd, M.10
Ford, J.M.11
Galvin, M.12
Gerlach, J.L.13
Grotzfeld, R.M.14
Herrgard, S.15
Insko, D.E.16
Insko, M.A.17
Lai, A.G.18
Lélias, J.-M.19
Mehta, S.A.20
Milanov, Z.V.21
Velasco, A.M.22
Wodicka, L.M.23
Patel, H.K.24
Zarrinkar, P.P.25
Lockhart, D.J.26
more..
-
17
-
-
32344440237
-
Analysis of drug induced effect patterns to link structure and side effects of medicines
-
Fliri, A. F.; Loging, W. T.; Thadeio, P. F.; Volkmann, R. A. Analysis of Drug Induced Effect Patterns to Link Structure and Side Effects of Medicines. Nature Chem. Biol. 2005, 1, 389-397.
-
(2005)
Nature Chem. Biol.
, vol.1
, pp. 389-397
-
-
Fliri, A.F.1
Loging, W.T.2
Thadeio, P.F.3
Volkmann, R.A.4
-
18
-
-
17844383964
-
Perturbational profiling of a cell-line model of tumorigenesis by using metabolic measurements
-
Ramanathan, A.; Wang, C.; Schreiber, S. L. Perturbational Profiling of a Cell-Line Model of Tumorigenesis by Using Metabolic Measurements. Proc. Natl. Acad. Sci. 2005, 102, 5992-5997.
-
(2005)
Proc. Natl. Acad. Sci.
, vol.102
, pp. 5992-5997
-
-
Ramanathan, A.1
Wang, C.2
Schreiber, S.L.3
-
19
-
-
33745220936
-
Chemical microarray: A new tool for drug screening and discovery
-
Haiching M.; Horiuchi, K. Y. Chemical Microarray: A New Tool for Drug Screening and Discovery. Drug Discovery Today 2006, 11, 661-668.
-
(2006)
Drug Discovery Today
, vol.11
, pp. 661-668
-
-
Haiching, M.1
Horiuchi, K.Y.2
-
20
-
-
0036835460
-
Integration of virtual and high-throughput screening
-
Bajorath, J. Integration of Virtual and High-Throughput Screening. Nature Rev. Drug Discovery 2002, 1, 882-894.
-
(2002)
Nature Rev. Drug Discovery
, vol.1
, pp. 882-894
-
-
Bajorath, J.1
-
21
-
-
32344446028
-
Can we rationally design promiscuous drugs?
-
Hopkins, A. L.; Mason, J. S.; Overington, J. P. Can We Rationally Design Promiscuous Drugs? Curr. Opin. Struct. Biol. 2006, 16, 127-136.
-
(2006)
Curr. Opin. Struct. Biol.
, vol.16
, pp. 127-136
-
-
Hopkins, A.L.1
Mason, J.S.2
Overington, J.P.3
-
22
-
-
0043031339
-
Predicting ADME properties and side effects: The BioPrint approach
-
Krejsa, C. M.; Horvath, D.; Rogalski, S. L. Penzotti, J. E.; Mao, B.; Barbosa, F.; Migeon, J. C. Predicting ADME Properties and Side Effects: The BioPrint Approach. Curr. Opin. Drug Discovery Dev. 2003, 6, 470-480.
-
(2003)
Curr. Opin. Drug Discovery Dev.
, vol.6
, pp. 470-480
-
-
Krejsa, C.M.1
Horvath, D.2
Rogalski, S.L.3
Penzotti, J.E.4
Mao, B.5
Barbosa, F.6
Migeon, J.C.7
-
23
-
-
0141521869
-
Biological mechanism profiling using an annotated compound library
-
Root, D. E.; Flaherty, S. P.; Kelley, B. P.; Stockwell, B. R. Biological Mechanism Profiling Using an Annotated Compound Library. Chem. Biol. 2003, 10, 881-892.
-
(2003)
Chem. Biol.
, vol.10
, pp. 881-892
-
-
Root, D.E.1
Flaherty, S.P.2
Kelley, B.P.3
Stockwell, B.R.4
-
24
-
-
0037432765
-
From knowing to controlling: A path from genomics to drugs using small molecule probes
-
Strausberg, R. L.; Schreiber, S. L. From Knowing to Controlling: A Path from Genomics to Drugs Using Small Molecule Probes. Science 2003, 300, 294-295.
-
(2003)
Science
, vol.300
, pp. 294-295
-
-
Strausberg, R.L.1
Schreiber, S.L.2
-
25
-
-
0038170311
-
Similarity metrics for ligands reflecting the similarity of the target proteins
-
Schuffenhauer, A.; Floersheim, P.; Acklin, P.; Jacoby, E. Similarity Metrics for Ligands Reflecting the Similarity of the Target Proteins. J. Chem. Inf. Comput. Sci. 2003, 43, 391-405.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 391-405
-
-
Schuffenhauer, A.1
Floersheim, P.2
Acklin, P.3
Jacoby, E.4
-
26
-
-
0037365125
-
Neighborhood behavior of in silico structural spaces with respect to in vitro activity spaces: A novel understanding of the molecular similarity principle in the context of multiple receptor binding profiles
-
Horvath, D.; Jeandenans, C. Neighborhood Behavior of In Silico Structural Spaces with Respect to In Vitro Activity Spaces: A Novel Understanding of the Molecular Similarity Principle in the Context of Multiple Receptor Binding Profiles. J. Chem. Inf. Comput. Sci. 2003, 43, 680-690.
-
(2003)
J. Chem. Inf. Comput. Sci.
, vol.43
, pp. 680-690
-
-
Horvath, D.1
Jeandenans, C.2
-
27
-
-
0034320172
-
Robustness of biological activity spectra predicting by computer program PASS for noncongeneric sets of chemical compounds
-
Poroikov, V. V.; Filimonov, D. A.; Borodina, Y. V.; Lagunin, A. A.; Kos, A. Robustness of Biological Activity Spectra Predicting by Computer Program PASS for Noncongeneric Sets of Chemical Compounds. J. Chem. Inf. Comput. Sci. 2000, 40, 1349-1355.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 1349-1355
-
-
Poroikov, V.V.1
Filimonov, D.A.2
Borodina, Y.V.3
Lagunin, A.A.4
Kos, A.5
-
28
-
-
33646730764
-
Robust ligand-based modeling of the biological targets of known drugs
-
Cleves, A. E.; Jain, A. N. Robust Ligand-Based Modeling of the Biological Targets of Known Drugs. J. Med. Chem. 2006, 49, 2921-2938.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 2921-2938
-
-
Cleves, A.E.1
Jain, A.N.2
-
29
-
-
33745391215
-
Prediction of biological targets for compounds using multiple-category Bayesian models trained on chemogenomics databases
-
Nidhi; Glick, M.; Davies, J. W.; Jenkins, J. L. Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases. J. Chem. Inf. Model. 2006, 46, 1124-1133.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 1124-1133
-
-
Nidhi1
Glick, M.2
Davies, J.W.3
Jenkins, J.L.4
-
30
-
-
3342907009
-
Exploring the chemogenomic knowledge space with annotated chemical libraries
-
Savchuk, N. P.; Balakin, K. V.; Tkachenko, S. E. Exploring the Chemogenomic Knowledge Space with Annotated Chemical Libraries. Curr. Opin. Chem. Biol. 2004, 8, 412-417.
-
(2004)
Curr. Opin. Chem. Biol.
, vol.8
, pp. 412-417
-
-
Savchuk, N.P.1
Balakin, K.V.2
Tkachenko, S.E.3
-
31
-
-
33845754451
-
-
MDL Information Systems, Inc: San Leandro, CA. CMC is an updated electronic version of Comprehensive Medicinal Chemistry; Pergamon Press: Elmsford, NY
-
MDL Comprehensive Medicinal Chemistry (CMC-ID) Database; MDL Information Systems, Inc: San Leandro, CA. CMC is an updated electronic version of Comprehensive Medicinal Chemistry; Pergamon Press: Elmsford, NY, 1990; Vol. 6.
-
(1990)
MDL Comprehensive Medicinal Chemistry (CMC-ID) Database
, vol.6
-
-
-
32
-
-
0012099309
-
-
Derwent Information Ltd.: London
-
World Drug Index; Derwent Information Ltd.: London.
-
World Drug Index
-
-
-
33
-
-
0003911273
-
-
MDL Information Systems. Inc.: San Leandro, CA
-
MDL Drug Data Report; MDL Information Systems. Inc.: San Leandro, CA.
-
MDL Drug Data Report
-
-
-
34
-
-
84968923096
-
WOMBAT: World of molecular bioactivity
-
Oprea, T. I., Ed.; Wiley-VCH: New York ; Sunset Molecular Discovery, LLC.: Santa Fe, NM, 2004
-
Olah, M.; Mracec, M.; Ostopovici, L.; Rad, R.; Bora, A.; Hadaruga, N.; Olah, I.; Banda, M.; Simon, Z.; Oprea, T. I. WOMBAT: World of Molecular Bioactivity. In Chemoinformatics in Drug Discovery; Oprea, T. I., Ed.; Wiley-VCH: New York, 2004; pp 223-239; Sunset Molecular Discovery, LLC.: Santa Fe, NM, 2004.
-
(2004)
Chemoinformatics in Drug Discovery
, pp. 223-239
-
-
Olah, M.1
Mracec, M.2
Ostopovici, L.3
Rad, R.4
Bora, A.5
Hadaruga, N.6
Olah, I.7
Banda, M.8
Simon, Z.9
Oprea, T.I.10
-
35
-
-
20444498116
-
Kinomics: Characterizing the therapeutically validated kinase space
-
Vieth, M.; Sutherland, J. J.; Robertson, D. H.; Campbell, R. M. Kinomics: Characterizing the Therapeutically Validated Kinase Space. Drug Discovery Today 2005, 10, 839-846.
-
(2005)
Drug Discovery Today
, vol.10
, pp. 839-846
-
-
Vieth, M.1
Sutherland, J.J.2
Robertson, D.H.3
Campbell, R.M.4
-
36
-
-
33745126636
-
Dependence of molecular properties on proteomic family for marketed oral drugs
-
Vieth, M.; Sutherland, J. J. Dependence of Molecular Properties on Proteomic Family for Marketed Oral Drugs. J. Med. Chem. 2006, 49, 3451-3453.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 3451-3453
-
-
Vieth, M.1
Sutherland, J.J.2
-
37
-
-
17044421362
-
Protein structure similarity clustering and natural product structure as guiding principles in drug discovery
-
Koch, M. A.; Waldmann, H. Protein Structure Similarity Clustering and Natural Product Structure as Guiding Principles in Drug Discovery. Drug Discovery Today 2005, 10, 471-483.
-
(2005)
Drug Discovery Today
, vol.10
, pp. 471-483
-
-
Koch, M.A.1
Waldmann, H.2
-
38
-
-
0037020329
-
Drug design strategies for targeting G protein-coupled receptor
-
Klabunde, T.; Hessler, G. Drug Design Strategies for Targeting G Protein-Coupled Receptor. ChemBioChem 2002, 3, 928-944.
-
(2002)
ChemBioChem
, vol.3
, pp. 928-944
-
-
Klabunde, T.1
Hessler, G.2
-
39
-
-
8844262660
-
Principles for modulation of the nuclear receptor superfamily
-
Gronemeyer, H.; Gustafsson, J. A.; Laudet, V. Principles for Modulation of the Nuclear Receptor Superfamily. Nature Rev. Drug Discovery 2004, 3, 950-964.
-
(2004)
Nature Rev. Drug Discovery
, vol.3
, pp. 950-964
-
-
Gronemeyer, H.1
Gustafsson, J.A.2
Laudet, V.3
-
40
-
-
0038210248
-
Nuclear receptors and the control of metabolism
-
Francis, G. A.; Fayard, E.; Picard, F.; Auwerx, J. Nuclear Receptors and the Control of Metabolism. Annu. Rev. Physiol. 2003, 65, 261-311.
-
(2003)
Annu. Rev. Physiol.
, vol.65
, pp. 261-311
-
-
Francis, G.A.1
Fayard, E.2
Picard, F.3
Auwerx, J.4
-
41
-
-
33746862161
-
SHED; Shannon entropy descriptors from topological feature distributions
-
Gregori-Puigjané, E.; Mestres, J. SHED; Shannon Entropy Descriptors from Topological Feature Distributions. J. Chem. Inf. Model. 2006, 46, 1615-1622.
-
(2006)
J. Chem. Inf. Model.
, vol.46
, pp. 1615-1622
-
-
Gregori-Puigjané, E.1
Mestres, J.2
-
42
-
-
33845777527
-
-
San Leandro, CA (accessed May 2006)
-
Elsevier MDL, San Leandro, CA. http://www.mdli.com/ (accessed May 2006).
-
-
-
-
43
-
-
33845726553
-
-
St. Louis, MO (accessed May 2006)
-
Tripos, Inc., St. Louis, MO, http://www.tripos.com/mol2/atom_types.html (accessed May 2006).
-
-
-
-
44
-
-
23844456015
-
Chemical and biological profiling of an annotated compound library directed to the nuclear receptor family
-
Cases, M.; García-Sema, R.; Hettne, K.; Weeber, M.; van der Lei, J.; Boyer, S.; Mestres, J. Chemical and Biological Profiling of an Annotated Compound Library Directed to the Nuclear Receptor Family. Curr. Top. Med. Chem. 2005, 5, 763-772.
-
(2005)
Curr. Top. Med. Chem.
, vol.5
, pp. 763-772
-
-
Cases, M.1
García-Sema, R.2
Hettne, K.3
Weeber, M.4
Van Der Lei, J.5
Boyer, S.6
Mestres, J.7
-
45
-
-
2942700377
-
Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures
-
Hert, J.; Willett, P.; Wilton, D. J.; Acklin, P.; Azzaoui, K.; Jacoby, E.; Schuffenhauer, A. Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures. J. Chem. Inf. Comput. Sci. 2004, 44, 1177-1185.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 1177-1185
-
-
Hert, J.1
Willett, P.2
Wilton, D.J.3
Acklin, P.4
Azzaoui, K.5
Jacoby, E.6
Schuffenhauer, A.7
-
46
-
-
10044263240
-
Similarity to molecules in the training set is a good discriminator for prediction accuracy in QSAR
-
Sheridan, R. P.; Feuston, B. P.; Maiorov, V. N.; Kearsley, S. K. Similarity to Molecules in the Training Set is a Good Discriminator for Prediction Accuracy in QSAR. J. Chem. Inf. Comput. Sci. 2004, 44, 1912-1928.
-
(2004)
J. Chem. Inf. Comput. Sci.
, vol.44
, pp. 1912-1928
-
-
Sheridan, R.P.1
Feuston, B.P.2
Maiorov, V.N.3
Kearsley, S.K.4
-
47
-
-
0033049676
-
Quantitative structure-activity relationship studies of RAR α, β, and γ retinoid agonists
-
Douguet, D.; Thoreau, E.; Grassy, G. Quantitative Structure-Activity Relationship Studies of RAR α, β, and γ Retinoid Agonists. Quant. Struct-Act. Relat. 1999, 18, 107-123.
-
(1999)
Quant. Struct-act. Relat.
, vol.18
, pp. 107-123
-
-
Douguet, D.1
Thoreau, E.2
Grassy, G.3
-
48
-
-
0032505176
-
Synthesis and characterization of heteroarotinoids demonstrate structure specificity relationships
-
Benbrook, D. M.; Subramanian, S.; Gale, J. B.; Liu, S.; Brown, C. W.; Boehm, M. F.; Berlin, K. D. Synthesis and Characterization of Heteroarotinoids Demonstrate Structure Specificity Relationships. J. Med. Chem. 1998, 41, 3753-3757.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 3753-3757
-
-
Benbrook, D.M.1
Subramanian, S.2
Gale, J.B.3
Liu, S.4
Brown, C.W.5
Boehm, M.F.6
Berlin, K.D.7
-
49
-
-
0034632762
-
Identification of a chemical tool for the orphan nuclear receptor FXR
-
Maloney, P. R.; Parks, D. J.; Haffner, C. D.; Fivush, A. M.; Chandra, G.; Plunket, K. D.; Creech, K. L.; Moore, L. B.; Wilson, J. G.; Lewis, M. C.; Jones, S. A.; Willson, T. M. Identification of a Chemical Tool for the Orphan Nuclear Receptor FXR. J. Med. Chem. 2000, 43, 2971 -2974.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 2971-2974
-
-
Maloney, P.R.1
Parks, D.J.2
Haffner, C.D.3
Fivush, A.M.4
Chandra, G.5
Plunket, K.D.6
Creech, K.L.7
Moore, L.B.8
Wilson, J.G.9
Lewis, M.C.10
Jones, S.A.11
Willson, T.M.12
-
50
-
-
0029763777
-
Identification of the first retinoid X receptor homodimer antagonist
-
Canan Koch, S. S.; Dardashti, L. J.; Hebert, J. J.; White, S. K.; Croston, G. E.; Flatten, K. S.; Heyman, R. A.; Nadzan, A. M. Identification of the First Retinoid X Receptor Homodimer Antagonist. J. Med. Chem. 1996, 39, 3229-3234.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 3229-3234
-
-
Canan Koch, S.S.1
Dardashti, L.J.2
Hebert, J.J.3
White, S.K.4
Croston, G.E.5
Flatten, K.S.6
Heyman, R.A.7
Nadzan, A.M.8
-
51
-
-
0242490780
-
A software environment for integrated models of biomolecular interaction networks
-
Shannon, P.; Markiel, A.; Ozier, O.; Baliga, N. S.; Wang, J. T.; Ramage, D.; Amin, N.; Schwikowski, B.; Ideker, T. Cytoscape; A Software Environment for Integrated Models of Biomolecular Interaction Networks. Genome Res. 2003, 13, 2498-2504.
-
(2003)
Genome Res.
, vol.13
, pp. 2498-2504
-
-
Shannon, P.1
Markiel, A.2
Ozier, O.3
Baliga, N.S.4
Wang, J.T.5
Ramage, D.6
Amin, N.7
Schwikowski, B.8
Cytoscape, I.T.9
-
52
-
-
14044263535
-
A novel method for visualizing nuclear hormone receptor networks relevant to drug metabolism
-
Ekins, S.; Kirillov, E.; Rakhmatulin, E. A.; Nikolskaya, T. A Novel Method for Visualizing Nuclear Hormone Receptor Networks Relevant to Drug Metabolism. Drug Metab. Dispos. 2005, 33, 474-481.
-
(2005)
Drug Metab. Dispos.
, vol.33
, pp. 474-481
-
-
Ekins, S.1
Kirillov, E.2
Rakhmatulin, E.A.3
Nikolskaya, T.4
-
53
-
-
23944483961
-
CAR and PXR: Xenosensors of endocrine disrupters?
-
Kretschmer, X. C.; Baldwin, W. S. CAR and PXR: Xenosensors of Endocrine Disrupters? Chem. Biol. Interact. 2005, 155, 111-128.
-
(2005)
Chem. Biol. Interact.
, vol.155
, pp. 111-128
-
-
Kretschmer, X.C.1
Baldwin, W.S.2
-
54
-
-
33744782612
-
The micoestrogen zearalenone induces CYP3A through activation of the pregnane X receptor
-
Ding, X.; Lichti, K.; Staudinger, J. L. The Micoestrogen Zearalenone Induces CYP3A Through Activation of the Pregnane X Receptor. Toxicol. Sci. 2006, 91, 448-455.
-
(2006)
Toxicol. Sci.
, vol.91
, pp. 448-455
-
-
Ding, X.1
Lichti, K.2
Staudinger, J.L.3
-
55
-
-
0034895785
-
Common phytochemicals are ecdysteroid agonists and antagonists: A possible evolutionary link between vertebrate and invertebrate steroid hormones
-
Oberdorster, E.; Clay, M. A.; Cottam, D. M.; Wilmot, F. A.; McLachlan, J. A.; Milner, M. J. Common Phytochemicals are Ecdysteroid Agonists and Antagonists: A Possible Evolutionary Link Between Vertebrate and Invertebrate Steroid Hormones. J. Steroid. Biochem. Mol. Biol. 2001, 77, 229-238.
-
(2001)
J. Steroid. Biochem. Mol. Biol.
, vol.77
, pp. 229-238
-
-
Oberdorster, E.1
Clay, M.A.2
Cottam, D.M.3
Wilmot, F.A.4
McLachlan, J.A.5
Milner, M.J.6
-
56
-
-
25644443217
-
Cross-talk between Farnesoid-X-Receptor (FXR) and peroxisome proliferator-activated receptor y contributes to the antifibrotic activity of FXR ligands in rodent models of liver cirrhosis
-
Fiorucci, S.; Rizzo, G.; Antonelli, E.; Renga, B.; Mencarelli, A.; Riccardi, L.; Morelli, A.; Pruzanski, M.; Pellicciari, R. Cross-talk between Farnesoid-X-Receptor (FXR) and Peroxisome Proliferator-Activated Receptor y Contributes to the Antifibrotic Activity of FXR Ligands in Rodent Models of Liver Cirrhosis. J. Pharmacol. Exp. Ther. 2005, 315, 58-68.
-
(2005)
J. Pharmacol. Exp. Ther.
, vol.315
, pp. 58-68
-
-
Fiorucci, S.1
Rizzo, G.2
Antonelli, E.3
Renga, B.4
Mencarelli, A.5
Riccardi, L.6
Morelli, A.7
Pruzanski, M.8
Pellicciari, R.9
-
57
-
-
0038701656
-
Retinoid X Receptor (RXR) agonist-induced antagonism of Farnesoid X Receptor (FXR) activity due to absence of coactivator recruitment and decreased DNA binding
-
Kassam, A.; Miao, B.; Young, P. R.; Mukherjee, R. Retinoid X Receptor (RXR) Agonist-Induced Antagonism of Farnesoid X Receptor (FXR) Activity Due to Absence of Coactivator Recruitment and Decreased DNA Binding. J. Biol. Chem. 2003, 278, 10028-10032.
-
(2003)
J. Biol. Chem.
, vol.278
, pp. 10028-10032
-
-
Kassam, A.1
Miao, B.2
Young, P.R.3
Mukherjee, R.4
-
58
-
-
7444253379
-
Benzoxepin-derived estrogen receptor modulators: A novel molecular scaffold for the estrogen receptor
-
Lloyd, D. G.; Hughes, R. B.; Zisterer, D. M.; Williams, D. C.; Fattorusso, C.; Catalanotti, B.; Campiani, G.; Meegan, M. J. Benzoxepin-Derived Estrogen Receptor Modulators: A Novel Molecular Scaffold for the Estrogen Receptor. J. Med. Chem. 2004, 47, 5612-5615.
-
(2004)
J. Med. Chem.
, vol.47
, pp. 5612-5615
-
-
Lloyd, D.G.1
Hughes, R.B.2
Zisterer, D.M.3
Williams, D.C.4
Fattorusso, C.5
Catalanotti, B.6
Campiani, G.7
Meegan, M.J.8
-
59
-
-
0035085038
-
Structure-activity relationships for a large diverse set of natural, synthetic, and environmental estrogens
-
Fang, H.; Tong, W.; Shi, L. M.; Blair, R.; Perkins, R.; Branham, W.; Hass, B. S.; Xie, Q.; Dial, S. L.; Moland, C. L.; Sheehan, D. M. Structure-Activity Relationships for a Large Diverse Set of Natural, Synthetic, and Environmental Estrogens. Chem. Res. Toxicol. 2001, 14, 280-294.
-
(2001)
Chem. Res. Toxicol.
, vol.14
, pp. 280-294
-
-
Fang, H.1
Tong, W.2
Shi, L.M.3
Blair, R.4
Perkins, R.5
Branham, W.6
Hass, B.S.7
Xie, Q.8
Dial, S.L.9
Moland, C.L.10
Sheehan, D.M.11
-
60
-
-
0041324659
-
Structural development of synthetic retlnoids and thalidomide-related molecules
-
Hashimoto, Y. Structural Development of Synthetic Retlnoids and Thalidomide-Related Molecules. Cancer Chemother. Pharmacol. 2003, 52, S12-S23.
-
(2003)
Cancer Chemother. Pharmacol.
, vol.52
-
-
Hashimoto, Y.1
-
61
-
-
0033049676
-
Quantitative structure-activity relationship studies of RAR α, β, γ retinoid agonists
-
Douguet, D.; Thoreau, E.; Grassy, G. Quantitative Structure-Activity Relationship Studies of RAR α, β, γ Retinoid Agonists. Quant. Struct.-Act. Relat. 1999, 18, 107-123.
-
(1999)
Quant. Struct.-act. Relat.
, vol.18
, pp. 107-123
-
-
Douguet, D.1
Thoreau, E.2
Grassy, G.3
-
62
-
-
0033593863
-
Stereoselective synthesis and receptor activity of conformationally defined retinoid X receptor selective ligands
-
Vuligonda, V.; Garst, M. E.; Chandraratna, R. A. S. Stereoselective Synthesis and Receptor Activity of Conformationally Defined Retinoid X Receptor Selective Ligands. Bioorg. Med. Chem. Lett. 1999, 9, 589-594.
-
(1999)
Bioorg. Med. Chem. Lett.
, vol.9
, pp. 589-594
-
-
Vuligonda, V.1
Garst, M.E.2
Chandraratna, R.A.S.3
-
63
-
-
0031807177
-
Potent retinoid synergists with a diphenylamine skeleton
-
Ohta, K.; Tsuji, M.; Kawachi, E.; Fukasawa, H.; Hashimoto, Y.; Shudo, K.; Kagechika, H. Potent Retinoid Synergists with a Diphenylamine Skeleton. Biol. Pharm. Bull. 1998, 21, 544-546.
-
(1998)
Biol. Pharm. Bull.
, vol.21
, pp. 544-546
-
-
Ohta, K.1
Tsuji, M.2
Kawachi, E.3
Fukasawa, H.4
Hashimoto, Y.5
Shudo, K.6
Kagechika, H.7
-
65
-
-
0032860707
-
Retinoids and psoriasis: Novel issues in retinoid pharmacology and implications for psoriasis treatment
-
Saurat, J.-H. Retinoids and Psoriasis: Novel Issues in Retinoid Pharmacology and Implications for Psoriasis Treatment. J. Am. Acad. Dermatol. 1999, 41, S2-S6.
-
(1999)
J. Am. Acad. Dermatol.
, vol.41
-
-
Saurat, J.-H.1
-
66
-
-
0242522918
-
Design and synthesis of a potent and selective triazole-based peroxisome proliferator-activated receptor a agonist
-
Xu, Y.; Mayhugh, D.; Saeed, A.; Wang, X.; Thompson, R. C.; Dominianni, S. J.; Kauffman, R. F.; Singh, J.; Bean, J. S.; Bensch, W. R.; Barr, R. J.; Osborne, J.; Montrose-Rafizadeh, C.; Zink, R. W.; Yumibe, N. P.; Huang, N.; Luffer-Atlas, D.; Rungta, D.; Maise, D. E.; Mantlo, N. B. Design and Synthesis of a Potent and Selective Triazole-Based Peroxisome Proliferator-Activated Receptor a Agonist J. Med. them. 2003, 46, 5121-5124.
-
(2003)
J. Med. Them.
, vol.46
, pp. 5121-5124
-
-
Xu, Y.1
Mayhugh, D.2
Saeed, A.3
Wang, X.4
Thompson, R.C.5
Dominianni, S.J.6
Kauffman, R.F.7
Singh, J.8
Bean, J.S.9
Bensch, W.R.10
Barr, R.J.11
Osborne, J.12
Montrose-Rafizadeh, C.13
Zink, R.W.14
Yumibe, N.P.15
Huang, N.16
Luffer-Atlas, D.17
Rungta, D.18
Maise, D.E.19
Mantlo, N.B.20
more..
-
67
-
-
18744383954
-
Treating the metabolic syndrome: Telmisartan as a peroxisome proliferator-activated receptor y activator
-
Kurtz, T. W. Treating the Metabolic Syndrome: Telmisartan as a Peroxisome Proliferator-Activated Receptor y Activator. Acta Diabetol. 2005, 42, 89-816.
-
(2005)
Acta Diabetol.
, vol.42
, pp. 89-816
-
-
Kurtz, T.W.1
-
68
-
-
0032576697
-
5-Aryl-1,2-dihydrochromeno[3,4-f] quinolines: A novel class of non-steroidal human progesterone receptor agonists
-
Zhi, L.; Tegley, C. M.; Kallel, E. A.; Marschke, K. B.; Mais, D. E.; Gottardis, M. M.; Jones, T. K. 5-Aryl-1,2-Dihydrochromeno[3,4-f] Quinolines: A Novel Class of Non-Steroidal Human Progesterone Receptor Agonists. J. Med. Chem. 1998, 41, 291-302.
-
(1998)
J. Med. Chem.
, vol.41
, pp. 291-302
-
-
Zhi, L.1
Tegley, C.M.2
Kallel, E.A.3
Marschke, K.B.4
Mais, D.E.5
Gottardis, M.M.6
Jones, T.K.7
-
69
-
-
0021988504
-
Evidence that the antiestrogen binding site is a histamine or histamine-like receptor
-
Brandes, L. J.; MacDonald, L. M.; Bogdanovic, R. P. Evidence that the Antiestrogen Binding Site is a Histamine or Histamine-like Receptor. Biochem. Biophys. Res. Comm. 1985, 126, 905-910.
-
(1985)
Biochem. Biophys. Res. Comm.
, vol.126
, pp. 905-910
-
-
Brandes, L.J.1
MacDonald, L.M.2
Bogdanovic, R.P.3
-
70
-
-
0033539137
-
Synthesis, structure-Activity relationships, and RAR γ-ligand interactions of nitrogen heteroarotinoids
-
Dhar, A.; Liu, S.; Klucik, J.; Berlin, K. D.; Madler, M. M.; Lu, S.; Ivey, R. T.; Zacheis, D.; Brown, C. W.; Nelson, E. C.; Birckbichler, P. J.; Benbrook, D. M. Synthesis, Structure-Activity Relationships, and RAR γ-Ligand Interactions of Nitrogen Heteroarotinoids. J. Med. Chem. 1999, 42, 3602-3614.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 3602-3614
-
-
Dhar, A.1
Liu, S.2
Klucik, J.3
Berlin, K.D.4
Madler, M.M.5
Lu, S.6
Ivey, R.T.7
Zacheis, D.8
Brown, C.W.9
Nelson, E.C.10
Birckbichler, P.J.11
Benbrook, D.M.12
-
71
-
-
0029835839
-
Tazarotene: First of a new generation of receptor-selective retinoids
-
Chandraratna, R. A. Tazarotene: First of a New Generation of Receptor-Selective Retinoids. Br. J. Dermatol. 1996, 135, 18-25.
-
(1996)
Br. J. Dermatol.
, vol.135
, pp. 18-25
-
-
Chandraratna, R.A.1
-
72
-
-
22844440938
-
Nuclear receptor antagonists designed based on the helix-folding inhibition hypothesis
-
Hashimoto, Y.; Miyachi, H. Nuclear Receptor Antagonists Designed Based on the Helix-Folding Inhibition Hypothesis. Bioorg. Med. Chem. 2005, 13, 5080-5093.
-
(2005)
Bioorg. Med. Chem.
, vol.13
, pp. 5080-5093
-
-
Hashimoto, Y.1
Miyachi, H.2
-
73
-
-
0038327536
-
Anticonvulsant effect of flutamide on seizures induced by pentylenetetrazole: Involvement of benzodiazepine receptors
-
Ahmadiani, A.; Mandgary, A.; Sayyah, M. Anticonvulsant Effect of Flutamide on Seizures Induced by Pentylenetetrazole: Involvement of Benzodiazepine Receptors. Epilepsia 2003, 44, 629-635.
-
(2003)
Epilepsia
, vol.44
, pp. 629-635
-
-
Ahmadiani, A.1
Mandgary, A.2
Sayyah, M.3
-
74
-
-
33644862638
-
Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: Ranking, voting, and consensus scoring
-
Zhang, Q.; Muegge, I. Scaffold Hopping Through Virtual Screening Using 2D and 3D Similarity Descriptors: Ranking, Voting, and Consensus Scoring. J. Med. Chem. 2006, 49, 1536-1548.
-
(2006)
J. Med. Chem.
, vol.49
, pp. 1536-1548
-
-
Zhang, Q.1
Muegge, I.2
-
75
-
-
29144506872
-
Representativity of target families in the protein data bank: Impact for family-directed structure-based drug discovery
-
Mestres J. Representativity of Target Families in the Protein Data Bank: Impact for Family-Directed Structure-Based Drug Discovery. Drug Discovery Today 2005, 10, 1629-1637.
-
(2005)
Drug Discovery Today
, vol.10
, pp. 1629-1637
-
-
Mestres, J.1
|