-
1
-
-
0034741123
-
3 receptor as a therapeutic target for antipsychotic and antiparkinsonian drugs
-
3 receptor as a therapeutic target for antipsychotic and antiparkinsonian drugs. Pharmacol. Ther. 2001, 90, 231-259.
-
(2001)
Pharmacol. Ther.
, vol.90
, pp. 231-259
-
-
Joyce, J.N.1
-
2
-
-
0037019828
-
Dopamine D3 receptor ligands with antagonist properties
-
Hackling, A. E.; Stark, H. Dopamine D3 receptor ligands with antagonist properties. ChemBioChem 2002, 3, 946-961.
-
(2002)
ChemBioChem
, vol.3
, pp. 946-961
-
-
Hackling, A.E.1
Stark, H.2
-
3
-
-
0033615028
-
Pharmacotherapies for treatment of cocaine abuse: Preclinical aspects
-
Carroll, F. I.; Howell, L. L.; Kuhar, M. J. Pharmacotherapies for treatment of cocaine abuse: preclinical aspects. J. Med. Chem. 1999, 42, 2721-2731.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 2721-2731
-
-
Carroll, F.I.1
Howell, L.L.2
Kuhar, M.J.3
-
4
-
-
0033596820
-
Restless legs syndrome improved by pramipexole: A double-blind randomized trial
-
Montplaisir, J.; Nicolas, A.; Denesle, R.; Gomez-Mancilla, B. Restless legs syndrome improved by pramipexole: a double-blind randomized trial. Neurology 1999, 52, 938-943.
-
(1999)
Neurology
, vol.52
, pp. 938-943
-
-
Montplaisir, J.1
Nicolas, A.2
Denesle, R.3
Gomez-Mancilla, B.4
-
5
-
-
0006188075
-
2 agonist binding for determination of receptor subtype selectivity
-
2 agonist binding for determination of receptor subtype selectivity. J. Med. Chem. 1996, 39, 4233-4237.
-
(1996)
J. Med. Chem.
, vol.39
, pp. 4233-4237
-
-
Van Vliet, L.A.1
Tepper, P.G.2
Dijkstra, D.3
Damsma, G.4
Wikstrom, H.5
Pugsley, T.A.6
Akunne, H.C.7
Heffner, T.G.8
Glase, S.A.9
Wise, L.D.10
-
7
-
-
0033595283
-
3 receptor agonist
-
3 receptor agonist. Nature 1999, 400, 371-375.
-
(1999)
Nature
, vol.400
, pp. 371-375
-
-
Pilla, M.1
Perachon, S.2
Sautel, F.3
Garrido, F.4
Mann, A.5
Wermuth, C.G.6
Schwartz, J.-C.7
Everitt, B.J.8
Sokoloff, P.9
-
8
-
-
0035919534
-
The dopamine D3 receptor partial agonist, BP 897, is an antagonist at human dopamine D3 receptors and at rat somatodendritic dopamine D3 receptors
-
Wicke, K.; Garcia-Ladona, J. The dopamine D3 receptor partial agonist, BP 897, is an antagonist at human dopamine D3 receptors and at rat somatodendritic dopamine D3 receptors. Eur. J. Pharmacol. 2001, 424, 85-90.
-
(2001)
Eur. J. Pharmacol.
, vol.424
, pp. 85-90
-
-
Wicke, K.1
Garcia-Ladona, J.2
-
13
-
-
0026660322
-
Modeling of G-protein-coupled receptors: Application to dopamine, adrenaline, serotonin, acetylcholine, and mammalian opsin receptors
-
Trumpp-Kallmeyer, S.; Hoflack, J.; Bruinvels, A.; Hibert, M. Modeling of G-protein-coupled receptors: application to dopamine, adrenaline, serotonin, acetylcholine, and mammalian opsin receptors. J. Med. Chem. 1992, 35, 3448-62.
-
(1992)
J. Med. Chem.
, vol.35
, pp. 3448-3462
-
-
Trumpp-Kallmeyer, S.1
Hoflack, J.2
Bruinvels, A.3
Hibert, M.4
-
16
-
-
0034604451
-
Crystal structure of rhodopsin: A G protein-coupled receptor
-
Palczewski, K.; Kumasaka, T.; Hori, T.; Behnke, C. A.; Motoshima, H.; Fox, B. A.; Trong, I. L.; Teller, D. C.; Okada, T.; Stenkamp, R. E.; Yamamoto, M.; Miyano, M. Crystal structure of rhodopsin: a G protein-coupled receptor. Science 2000, 289, 739-745.
-
(2000)
Science
, vol.289
, pp. 739-745
-
-
Palczewski, K.1
Kumasaka, T.2
Hori, T.3
Behnke, C.A.4
Motoshima, H.5
Fox, B.A.6
Trong, I.L.7
Teller, D.C.8
Okada, T.9
Stenkamp, R.E.10
Yamamoto, M.11
Miyano, M.12
-
17
-
-
0035800032
-
Advances in determination of a high-resolution three-dimensional structure of rhodopsin, a model of G-protein-coupled receptors (GPCRs)
-
Teller, D. C.; Okada, T.; Behnke, C. A.; Palczewski, K.; Stenkamp, R. E. Advances in determination of a high-resolution three-dimensional structure of rhodopsin, a model of G-protein-coupled receptors (GPCRs). Biochemistry 2001, 40, 7761-7772.
-
(2001)
Biochemistry
, vol.40
, pp. 7761-7772
-
-
Teller, D.C.1
Okada, T.2
Behnke, C.A.3
Palczewski, K.4
Stenkamp, R.E.5
-
18
-
-
0035943457
-
Crystal structure of sensory rhodopsin II at 2.4 angstroms: Insights into color tuning and transducer interaction
-
Luecke, H.; Schobert, B.; Lanyi, J. K.; Spudich, E. N.; Spudich, J. L. Crystal structure of sensory rhodopsin II at 2.4 angstroms: insights into color tuning and transducer interaction. Science 2001, 293, 1499-1503.
-
(2001)
Science
, vol.293
, pp. 1499-1503
-
-
Luecke, H.1
Schobert, B.2
Lanyi, J.K.3
Spudich, E.N.4
Spudich, J.L.5
-
19
-
-
0037197848
-
Functional role of internal water molecules in rhodopsin revealed by X-ray crystallography
-
Okada, T.; Fujiyoshi, Y.; Silow, M.; Navarro, J.; Landau, E. M.; Shichida, Y. Functional role of internal water molecules in rhodopsin revealed by X-ray crystallography. Proc. Natl. Acad. Sci. U.S.A. 2002, 99, 5982-5987.
-
(2002)
Proc. Natl. Acad. Sci. U.S.A.
, vol.99
, pp. 5982-5987
-
-
Okada, T.1
Fujiyoshi, Y.2
Silow, M.3
Navarro, J.4
Landau, E.M.5
Shichida, Y.6
-
20
-
-
0035964365
-
X-ray structure of sensory rhodopsin II at 2.1-A resolution
-
Royant, A.; Nollert, P.; Edman, K.; Neutze, R.; Landau, E. M.; Pebay-Peyroula, E.; Navarro, J. X-ray structure of sensory rhodopsin II at 2. 1-A resolution. Proc. Natl. Acad. Sci. U.S.A. 2001, 98, 10131-10136.
-
(2001)
Proc. Natl. Acad. Sci. U.S.A.
, vol.98
, pp. 10131-10136
-
-
Royant, A.1
Nollert, P.2
Edman, K.3
Neutze, R.4
Landau, E.M.5
Pebay-Peyroula, E.6
Navarro, J.7
-
21
-
-
0032991267
-
A solvent model for simulations of peptides in bilayers. II. Membrane-spanning α-helices
-
Efremov, R. G.; Nolde, D. E.; Vergoten, G.; Arseniev, A. S. A solvent model for simulations of peptides in bilayers. II. Membrane-spanning α-helices. Biophys. J. 1999, 76, 2460-2471.
-
(1999)
Biophys. J.
, vol.76
, pp. 2460-2471
-
-
Efremov, R.G.1
Nolde, D.E.2
Vergoten, G.3
Arseniev, A.S.4
-
22
-
-
0037150089
-
Conformational energetics of rhodopsin modulated by nonlamellar-forming lipids
-
Botelho, A. V.; Gibson, N. J.; Thurmond, R. L.; Wang, Y.; Brown, M. F. Conformational energetics of rhodopsin modulated by nonlamellar-forming lipids. Biochemistry 2002, 41, 6354-6368.
-
(2002)
Biochemistry
, vol.41
, pp. 6354-6368
-
-
Botelho, A.V.1
Gibson, N.J.2
Thurmond, R.L.3
Wang, Y.4
Brown, M.F.5
-
23
-
-
0031565726
-
An Alpha-carbon template for the transmembrane helices in the rhodopsin family of G-protein-coupled receptors
-
Baldwin, J. M.; Schertler, G. F. X.; Unger, V. M. An Alpha-carbon template for the transmembrane helices in the rhodopsin family of G-protein-coupled receptors. J. Mol. Biol. 1997, 272, 144-164.
-
(1997)
J. Mol. Biol.
, vol.272
, pp. 144-164
-
-
Baldwin, J.M.1
Schertler, G.F.X.2
Unger, V.M.3
-
26
-
-
0001008704
-
Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid-crystal phases
-
Heller, H.; Schaefer, M.; Schulten, K. Molecular dynamics simulation of a bilayer of 200 lipids in the gel and in the liquid-crystal phases. J. Phys. Chem. 1993, 97, 8343-8360.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 8343-8360
-
-
Heller, H.1
Schaefer, M.2
Schulten, K.3
-
27
-
-
84986512474
-
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
-
Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swaminathan, S.; Karplus, M. CHARMM: A Program for Macromolecular Energy, Minimization, and Dynamics Calculations. J. Comput. Chem. 1983, 4, 187-217.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 187-217
-
-
Brooks, B.R.1
Bruccoleri, R.E.2
Olafson, B.D.3
States, D.J.4
Swaminathan, S.5
Karplus, M.6
-
28
-
-
0036169280
-
The binding site of aminergic G protein-coupled receptors: The transmembrane segments and second extracellular loop
-
Shi, L.; Javitch, J. A. The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loop. Annu. Rev. Pharmacol. Toxicol. 2002, 42, 437-467.
-
(2002)
Annu. Rev. Pharmacol. Toxicol.
, vol.42
, pp. 437-467
-
-
Shi, L.1
Javitch, J.A.2
-
29
-
-
0034948696
-
Stuctural mimicry in G protein-coupled receptors: Implications of the high-resolution of rhodopsin for structure -function analysis of rhodopsin-like receptors
-
Ballesteros, J. A.; Shi, L.; Javitch, J. A. Stuctural mimicry in G protein-coupled receptors: implications of the high-resolution of rhodopsin for structure -function analysis of rhodopsin-like receptors. Mol. Pharmacol. 2001, 60, 1-19.
-
(2001)
Mol. Pharmacol.
, vol.60
, pp. 1-19
-
-
Ballesteros, J.A.1
Shi, L.2
Javitch, J.A.3
-
30
-
-
0028971630
-
2 dopamine receptor are important for binding and signal transduction
-
2 dopamine receptor are important for binding and signal transduction. J. Neurochem. 1995, 65, 2105-15.
-
(1995)
J. Neurochem.
, vol.65
, pp. 2105-2115
-
-
Cho, W.1
Taylor, L.P.2
Mansour, A.3
Akil, H.4
-
31
-
-
0029778268
-
Rhodopsin activation blocked by metal-ion-binding sites linking transmembrane helices C and F
-
Sheikh, S. P.; Zvyaga, T. A.; Lichtarge, O.; Sakmar, T. P.; Bourne, H. R. Rhodopsin activation blocked by metal-ion-binding sites linking transmembrane helices C and F. Nature 1996, 383, 347-350.
-
(1996)
Nature
, vol.383
, pp. 347-350
-
-
Sheikh, S.P.1
Zvyaga, T.A.2
Lichtarge, O.3
Sakmar, T.P.4
Bourne, H.R.5
-
32
-
-
0033546197
-
Similar structures and shared switch mechanisms of the β2-adrenoceptor and the parathyroid hormone receptor. Zn(II) bridges between helices III and VI block activation
-
Sheikh, S. P.; Vilardarga, J. P.; Baranski, T. J.; Lichtarge, O.; Iiri, T.; Meng, E. C.; Nissenson, R. A.; Bourne H. R. Similar structures and shared switch mechanisms of the β2-adrenoceptor and the parathyroid hormone receptor. Zn(II) bridges between helices III and VI block activation. J. Biol. Chem. 1999, 274, 17033-41.
-
(1999)
J. Biol. Chem.
, vol.274
, pp. 17033-17041
-
-
Sheikh, S.P.1
Vilardarga, J.P.2
Baranski, T.J.3
Lichtarge, O.4
Iiri, T.5
Meng, E.C.6
Nissenson, R.A.7
Bourne, H.R.8
-
33
-
-
0035937786
-
Agonist-induced conformational changes at the cytoplasmic side of transmembrane segment 6 in the β2 adrenergic receptor mapped by site-selective fluorescent labeling
-
Jensen, A. D.; Guarnieri, F.; Rasmussen, S. G. F.; Asmar, F.; Ballesteros, J. A.; Gether, U. Agonist-induced conformational changes at the cytoplasmic side of transmembrane segment 6 in the β2 adrenergic receptor mapped by site-selective fluorescent labeling. J. Biol. Chem. 2001, 276, 9279-9290.
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 9279-9290
-
-
Jensen, A.D.1
Guarnieri, F.2
Rasmussen, S.G.F.3
Asmar, F.4
Ballesteros, J.A.5
Gether, U.6
-
34
-
-
0029907599
-
Requirement of rigid-body motion of transmembrane helices for light activation of rhodopsin
-
Farrens, D. L.; Altenbach, C.; Yang, K.; Hubbell, W. L., Khorana, H. G. Requirement of rigid-body motion of transmembrane helices for light activation of rhodopsin. Science 1996, 274, 768-770.
-
(1996)
Science
, vol.274
, pp. 768-770
-
-
Farrens, D.L.1
Altenbach, C.2
Yang, K.3
Hubbell, W.L.4
Khorana, H.G.5
-
35
-
-
0035800850
-
Activation of the β2-adrenergic receptor involves disruption of an ionic lock between the cytoplasmic ends of transmembrane segments 3 and 6
-
Ballesteros, J. A.; Jensen, A. D.; Liapakis, G.; Rasmussen, S. G. F.; Shi, L.; Gether, U.; Javitch, J. A. Activation of the β2-adrenergic receptor involves disruption of an ionic lock between the cytoplasmic ends of transmembrane segments 3 and 6. J. Biol. Chem. 2001, 276, 29171-29177.
-
(2001)
J. Biol. Chem.
, vol.276
, pp. 29171-29177
-
-
Ballesteros, J.A.1
Jensen, A.D.2
Liapakis, G.3
Rasmussen, S.G.F.4
Shi, L.5
Gether, U.6
Javitch, J.A.7
-
36
-
-
0030859541
-
Agonists induce conformational changes in thransmembrane domains III and Vi of the β2 adrenoceptor
-
Gether, U.; Lin, S.; Ghanouni, P.; Ballesteros, J. A.; Weinstein, H.; Kobilka, B. K. Agonists induce conformational changes in thransmembrane domains III and Vi of the β2 adrenoceptor. EMBO J. 1997, 16, 6737-6747.
-
(1997)
EMBO J.
, vol.16
, pp. 6737-6747
-
-
Gether, U.1
Lin, S.2
Ghanouni, P.3
Ballesteros, J.A.4
Weinstein, H.5
Kobilka, B.K.6
-
37
-
-
0030611331
-
Constitutive activation of the β2 adrenergic receptor alters the orientation of its sixth membrane-spanning segment
-
Javitch, J. A.; Fu, D.; Liapakis, G.; Chen, J. Constitutive activation of the β2 adrenergic receptor alters the orientation of its sixth membrane-spanning segment. J. Biol. Chem. 1997, 272, 18546-18549.
-
(1997)
J. Biol. Chem.
, vol.272
, pp. 18546-18549
-
-
Javitch, J.A.1
Fu, D.2
Liapakis, G.3
Chen, J.4
-
38
-
-
0035899988
-
2 receptor: Accessibility in the binding site crevice and position in the transmembrane bundle
-
2 receptor: Accessibility in the binding site crevice and position in the transmembrane bundle. Biochemistry 2001, 40, 12339-12348.
-
(2001)
Biochemistry
, vol.40
, pp. 12339-12348
-
-
Shi, L.1
Simpson, M.M.2
Ballesteros, J.A.3
Javitch, J.A.4
-
39
-
-
0028920298
-
2 receptor by the substituted-cysteine accessibility method
-
2 receptor by the substituted-cysteine accessibility method. Neuron 1995, 14, 825-831.
-
(1995)
Neuron
, vol.14
, pp. 825-831
-
-
Javitch, J.A.1
Fu, D.2
Chen, J.3
Karlin, A.4
-
40
-
-
0029617613
-
2 receptor exposed in the binding-site crevice
-
2 receptor exposed in the binding-site crevice. Biochemistry 1995, 34, 16433-39.
-
(1995)
Biochemistry
, vol.34
, pp. 16433-16439
-
-
Javitch, J.A.1
Fu, D.2
Chen, J.3
-
41
-
-
0029664506
-
2 ligands by their sensitivities to modification of the cysteine exposed in the binding-site crevice
-
2 ligands by their sensitivities to modification of the cysteine exposed in the binding-site crevice. Mol. Pharmacol. 1996, 49, 692-698.
-
(1996)
Mol. Pharmacol.
, vol.49
, pp. 692-698
-
-
Javitch, J.A.1
Fu, D.2
Chen, J.3
-
44
-
-
0034633933
-
2 receptor: Accessibility in the binding-site crevice and position in the transmembrane bundle
-
2 receptor: accessibility in the binding-site crevice and position in the transmembrane bundle. Biochemistry 2000, 39, 12190-99.
-
(2000)
Biochemistry
, vol.39
, pp. 12190-12199
-
-
Javitch, J.A.1
Shi, L.2
Simpson, M.M.3
Chen, J.4
Chiappa, V.5
Visiers, I.6
Weinstein, H.7
Ballesteros, J.A.8
-
47
-
-
0031969706
-
3 receptor measured by guanosine 5′-gamma-thio-triphosphate-35S-binding
-
3 receptor measured by guanosine 5′ -gamma-thio-triphosphate-35S-binding. J. Pharmacol. Exp. Ther. 1998, 285, 119-126.
-
(1998)
J. Pharmacol. Exp. Ther.
, vol.285
, pp. 119-126
-
-
Malmberg, M.1
Mohell, N.2
-
48
-
-
0029125320
-
3 dopamine receptors
-
3 dopamine receptors. Neuropsychopharmacology 1995, 12, 335-345.
-
(1995)
Neuropsychopharmacology
, vol.12
, pp. 335-345
-
-
Burris, K.D.1
Pacheco, M.A.2
Filtz, T.M.3
Kung, M.-P.4
Kung, H.F.5
Molinoff, P.B.6
-
49
-
-
0141917003
-
-
supplied by Accelrys Inc., San Diego, CA
-
2, a molecular modeling system, supplied by Accelrys Inc., San Diego, CA.
-
2, a Molecular Modeling System
-
-
-
51
-
-
0031595788
-
3 receptor binding site by pharmacological characterization of mutants expressed in CHO cells with the Semliki Forest virus system
-
3 receptor binding site by pharmacological characterization of mutants expressed in CHO cells with the Semliki Forest virus system J. Recept. Signal Transduct. Res. 1998, 18, 133-150.
-
(1998)
J. Recept. Signal Transduct. Res.
, vol.18
, pp. 133-150
-
-
Lundstrom, K.1
Turpin, M.P.2
Large, C.3
Robertson, G.4
Thomas, P.5
Lewell, X.-Q.6
-
52
-
-
0033944796
-
Conserved aromatic residues in the transmembrane region VI of the V1a vasopressin receptor differentiate agonist vs antagonist ligand binding
-
Cotte, N.; Balestre, M. N.; Aumelas, A.; Mahe, E.; Phalipou, S.; Morin, D.; Hibert, M.; Manning, M.; Durroux, T.; Barberis, C.; Mouillac, B. Conserved aromatic residues in the transmembrane region VI of the V1a vasopressin receptor differentiate agonist vs antagonist ligand binding, Eur. J. Biochem. 2000, 267, 4253-63.
-
(2000)
Eur. J. Biochem.
, vol.267
, pp. 4253-4263
-
-
Cotte, N.1
Balestre, M.N.2
Aumelas, A.3
Mahe, E.4
Phalipou, S.5
Morin, D.6
Hibert, M.7
Manning, M.8
Durroux, T.9
Barberis, C.10
Mouillac, B.11
-
53
-
-
0033522643
-
Phe310 in transmembrane VI of the alpha1B-adrenergic receptor is a key switch residue involved in activation and catecholamine ring aromatic bonding
-
Chen, S.; Xu, M.; Lin, F.; Lee, D.; Riek, P.; Graham, R. M. Phe310 in transmembrane VI of the alpha1B-adrenergic receptor is a key switch residue involved in activation and catecholamine ring aromatic bonding. J. Biol. Chem. 1999, 274, 16320-30.
-
(1999)
J. Biol. Chem.
, vol.274
, pp. 16320-16330
-
-
Chen, S.1
Xu, M.2
Lin, F.3
Lee, D.4
Riek, P.5
Graham, R.M.6
-
54
-
-
0028973086
-
Interaction of Phe8 of angiotensin II with Lys199 and His256 of AT1 receptor in agonist activation
-
Noda, K.; Saad, Y.; Karnik, S. S. Interaction of Phe8 of angiotensin II with Lys199 and His256 of AT1 receptor in agonist activation. J. Biol. Chem. 1995, 270, 28511-14.
-
(1995)
J. Biol. Chem.
, vol.270
, pp. 28511-28514
-
-
Noda, K.1
Saad, Y.2
Karnik, S.S.3
-
55
-
-
0032555649
-
Identification of a ligand-dependent switch within a muscarinic receptor
-
Spalding, T. A.; Burstein, E. S.; Henderson, S. C.; Ducote, K. R.; Brann, M. R. Identification of a ligand-dependent switch within a muscarinic receptor. J. Biol. Chem. 1998, 273, 21563-68.
-
(1998)
J. Biol. Chem.
, vol.273
, pp. 21563-21568
-
-
Spalding, T.A.1
Burstein, E.S.2
Henderson, S.C.3
Ducote, K.R.4
Brann, M.R.5
-
56
-
-
0032445730
-
Mutagenesis of the human 5-HT1B receptor: Differences from the closely related 5-HT1A receptor and the role of residue F331 in signal transduction
-
Granas, C.; Nordvall, G.; Larhammar, D. Mutagenesis of the human 5-HT1B receptor: differences from the closely related 5-HT1A receptor and the role of residue F331 in signal transduction. J. Recept. Signal. Transduct. Res. 1998, 18, 225-241.
-
(1998)
J. Recept. Signal. Transduct. Res.
, vol.18
, pp. 225-241
-
-
Granas, C.1
Nordvall, G.2
Larhammar, D.3
-
58
-
-
0034934377
-
Pharmacophore modeling and three-dimensional database searching for drug design using catalyst
-
Kurogi, Y.; Guner, O. F. Pharmacophore modeling and three-dimensional database searching for drug design using catalyst. Curr. Med. Chem. 2001, 8, 1035-1055.
-
(2001)
Curr. Med. Chem.
, vol.8
, pp. 1035-1055
-
-
Kurogi, Y.1
Guner, O.F.2
-
59
-
-
0031605647
-
Pharmacophores in drug design and discovery
-
Milne, G. W.; Nicklaus, M. C.; Wang, S. Pharmacophores in drug design and discovery. SAR QSAR Environ. Res. 1998, 9, 23-38.
-
(1998)
SAR QSAR Environ. Res.
, vol.9
, pp. 23-38
-
-
Milne, G.W.1
Nicklaus, M.C.2
Wang, S.3
-
60
-
-
0034628495
-
Discovery of a novel dopamine transporter inhibitor, 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone, as a potential cocaine antagonist through 3D-database pharmacophore searching. Molecular modeling, structure-activity relationships, and behavioral pharmacological studies
-
Wang, S.; Sakamuri, S.; Enyedy, I. J.; Kozikowski, A. P.; Deschaux, O.; Bandyopadhyay, B. C.; Tella, S. R.; Zaman, W. A.; Johnsons, K. M. Discovery of a novel dopamine transporter inhibitor, 4-hydroxy-1-methyl-4-(4-methylphenyl)-3-piperidyl 4-methylphenyl ketone, as a potential cocaine antagonist through 3D-database pharmacophore searching. Molecular modeling, structure-activity relationships, and behavioral pharmacological studies. J. Med. Chem. 2000, 43, 351-360.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 351-360
-
-
Wang, S.1
Sakamuri, S.2
Enyedy, I.J.3
Kozikowski, A.P.4
Deschaux, O.5
Bandyopadhyay, B.C.6
Tella, S.R.7
Zaman, W.A.8
Johnsons, K.M.9
-
61
-
-
0037103143
-
Alpha(1)-adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis and biological evaluation of new imidazo-, benzimidazo- and indoloarylpiperazine derivatives
-
Betti, L.; Botta, M.; Corelli, F.; Floridi, M.; Giannaccini, G.; Maccari, L.; Manetti, F.; Strappaghetti, G.; Tafi, A.; Corsano, S. Alpha(1) -adrenoceptor antagonists. 4. Pharmacophore-based design, synthesis and biological evaluation of new imidazo-, benzimidazo- and indoloarylpiperazine derivatives. J. Med. Chem. 2002, 45, 3603-3611.
-
(2002)
J. Med. Chem.
, vol.45
, pp. 3603-3611
-
-
Betti, L.1
Botta, M.2
Corelli, F.3
Floridi, M.4
Giannaccini, G.5
Maccari, L.6
Manetti, F.7
Strappaghetti, G.8
Tafi, A.9
Corsano, S.10
-
62
-
-
0035002134
-
Virtual screening: An effective tool for lead structure discovery?
-
Langer, T.; Hoffmann, R. D. Virtual screening: an effective tool for lead structure discovery? Curr. Pharm. Des. 2001, 7, 509-527.
-
(2001)
Curr. Pharm. Des.
, vol.7
, pp. 509-527
-
-
Langer, T.1
Hoffmann, R.D.2
-
63
-
-
0035818885
-
Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening
-
Enyedy, I. J.; Ling, Y.; Nacro, K.; Tomita, Y.; Wu, X.; Cao, Y.; Guo, R. ; Li, B.; Zhu, X.; Huang, Y.; Long, Y. Q.; Roller, P. P.; Yang, D.; Wang, S. Discovery of small-molecule inhibitors of Bcl-2 through structure-based computer screening. J. Med. Chem. 2001, 44, 4313-4324.
-
(2001)
J. Med. Chem.
, vol.44
, pp. 4313-4324
-
-
Enyedy, I.J.1
Ling, Y.2
Nacro, K.3
Tomita, Y.4
Wu, X.5
Cao, Y.6
Guo, R.7
Li, B.8
Zhu, X.9
Huang, Y.10
Long, Y.Q.11
Roller, P.P.12
Yang, D.13
Wang, S.14
-
64
-
-
0035936686
-
A new target for shigellosis: Rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase
-
Gradler, U.; Gerber, H.-D.; Goodenough-Lashua, D. M.; Garcia, G. A.; Ficner, R.; Reuter, K.; Stubbs, M. T.; Klebe, G. A new target for shigellosis: Rational design and crystallographic studies of inhibitors of tRNA-guanine transglycosylase. J. Mol. Biol. 2001, 306, 455-467.
-
(2001)
J. Mol. Biol.
, vol.306
, pp. 455-467
-
-
Gradler, U.1
Gerber, H.-D.2
Goodenough-Lashua, D.M.3
Garcia, G.A.4
Ficner, R.5
Reuter, K.6
Stubbs, M.T.7
Klebe, G.8
-
65
-
-
0034719423
-
-
Sarmiento, M.; Wu, L.; Keng, Y.-F.; Song, L.; Luo, Z.; Huang, Z.; Wu, G.-Z.; Yuan, A. K.; Zhang, Z.-Y. J. Med. Chem. 2000, 43, 146-155.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 146-155
-
-
Sarmiento, M.1
Wu, L.2
Keng, Y.-F.3
Song, L.4
Luo, Z.5
Huang, Z.6
Wu, G.-Z.7
Yuan, A.K.8
Zhang, Z.-Y.9
-
66
-
-
0034628541
-
Successful Virtual screening of a chemical database for farnesyltransferase inhibitor leads
-
Perola, E.; Xu, K.; Kollmeyer, T. M.; Kaufmann, S. H.; Prendergast, F. G.; Pang, Y.-P. Successful Virtual screening of a chemical database for farnesyltransferase inhibitor leads. J. Med. Chem. 2000, 43, 401-408.
-
(2000)
J. Med. Chem.
, vol.43
, pp. 401-408
-
-
Perola, E.1
Xu, K.2
Kollmeyer, T.M.3
Kaufmann, S.H.4
Prendergast, F.G.5
Pang, Y.-P.6
-
67
-
-
0035942512
-
Discovery of novel aldose reductase inhibitors using a protein structure-based approach: 3D-database search followed by design and synthesis
-
Iwata, Y.; Arisawa, M.; Hamada, R.; Kita, Y.; Mizutani, M. Y.; Tomioka, N.; Itai, A.; Miyamoto, S. Discovery of novel aldose reductase inhibitors using a protein structure-based approach: 3D-database search followed by design and synthesis. J. Med. Chem. 2001, 44, 1718-1728.
-
(2001)
J. Med. Chem.
, vol.44
, pp. 1718-1728
-
-
Iwata, Y.1
Arisawa, M.2
Hamada, R.3
Kita, Y.4
Mizutani, M.Y.5
Tomioka, N.6
Itai, A.7
Miyamoto, S.8
-
68
-
-
0033607028
-
Structure-based identification of small molecule antiviral compounds targeted to the gp41 core structure of the human immunodeficiency virus type 1
-
Debnath, A. K.; Radigan, L.; Jiang, S. Structure-based identification of small molecule antiviral compounds targeted to the gp41 core structure of the human immunodeficiency virus type 1. J. Med. Chem. 1999, 42, 3203-3209.
-
(1999)
J. Med. Chem.
, vol.42
, pp. 3203-3209
-
-
Debnath, A.K.1
Radigan, L.2
Jiang, S.3
-
69
-
-
0003789360
-
-
is supplied by Molecular Simulations Inc., San Diego, CA
-
Quanta, a molecular modeling system, is supplied by Molecular Simulations Inc., San Diego, CA.
-
Quanta, a Molecular Modeling System
-
-
-
70
-
-
0028501715
-
The NCI Drug Information System 3D Database
-
Milne, G. W. A.; Nicklaus, M. C.; Driscoll, J. S.; Wang, S.; Zaharevitz, D. W. The NCI Drug Information System 3D Database, J. Chem. Inf. Comput. Sci. 1994, 34, 1219-1224.
-
(1994)
J. Chem. Inf. Comput. Sci.
, vol.34
, pp. 1219-1224
-
-
Milne, G.W.A.1
Nicklaus, M.C.2
Driscoll, J.S.3
Wang, S.4
Zaharevitz, D.W.5
-
71
-
-
0141985972
-
-
Chem-X is a Product of Chemical Design Ltd., 7 West Way, Oxford OX2 0JB, England
-
Chem-X is a product of Chemical Design Ltd., 7 West Way, Oxford OX2 0JB, England.
-
-
-
-
72
-
-
0027934781
-
Substituted (S)-Phenylpiperidines and rigid congeners as preferential dopamine autoreceptor antagonists: Synthesis and structure-activity relationships
-
Sonesson, C.; Lin, C.-H.; Hansson, L.; Waters, N.; Svensson, K.; Carlsson, A.; Smith, M. W.; Wikstrom, H. Substituted (S)-Phenylpiperidines and rigid congeners as preferential dopamine autoreceptor antagonists: synthesis and structure-activity relationships. J. Med. Chem. 1994, 37, 2735-53.
-
(1994)
J. Med. Chem.
, vol.37
, pp. 2735-2753
-
-
Sonesson, C.1
Lin, C.-H.2
Hansson, L.3
Waters, N.4
Svensson, K.5
Carlsson, A.6
Smith, M.W.7
Wikstrom, H.8
-
73
-
-
0015861774
-
Relationship between the inhibition constant (Ki) and the concentration of inhibitor which causes 50% inhibition (IC50) of an enzymatic reaction
-
Cheng, Y.; Prussoff, W. H. Relationship between the inhibition constant (Ki) and the concentration of inhibitor which causes 50% inhibition (IC50) of an enzymatic reaction. Biochem. Pharmacol. 1973, 22, 3099-3108.
-
(1973)
Biochem. Pharmacol.
, vol.22
, pp. 3099-3108
-
-
Cheng, Y.1
Prussoff, W.H.2
-
74
-
-
0035811458
-
A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities
-
Terp, G. E.; Johansen, B. N.; Christensen, I. T.; Jorgensen, F. S. A new concept for multidimensional selection of ligand conformations (MultiSelect) and multidimensional scoring (MultiScore) of protein-ligand binding affinities. J. Med. Chem. 2001, 44, 2333-2343.
-
(2001)
J. Med. Chem.
, vol.44
, pp. 2333-2343
-
-
Terp, G.E.1
Johansen, B.N.2
Christensen, I.T.3
Jorgensen, F.S.4
-
75
-
-
0041784950
-
All-atom empirical potential for molecular modeling and dynamics studies of proteins
-
MacKerell, A. D., Jr.; Bashford, D.; Bellott, M.; Dunbrack, R. L., Jr.; Evanseck, J. D.; Field, M. J.; Fischer, S.; Gao, J.; Guo, H.; Ha, S.; Joseph-McCarthy, D.; Kuchnir, L.; Kuczera, K.; Lau, F. T. K.; Mattos, C.; Michnick, S.; Ngo, T.; Nguyen, D. T.; Prodhom, B.; Reiher, W. E., III; Roux, B. ; Schlenkrich, M.; Smith, J. C.; Stote, R.; Straub, J.; Watanabe, M.; Wiorkiewicz-Kuczera, J.; Yin, D.; Karplus, M. All-atom empirical potential for molecular modeling and dynamics studies of proteins. J. Phys. Chem. B 1998, 102, 3586-3616.
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 3586-3616
-
-
MacKerell A.D., Jr.1
Bashford, D.2
Bellott, M.3
Dunbrack R.L., Jr.4
Evanseck, J.D.5
Field, M.J.6
Fischer, S.7
Gao, J.8
Guo, H.9
Ha, S.10
Joseph-McCarthy, D.11
Kuchnir, L.12
Kuczera, K.13
Lau, F.T.K.14
Mattos, C.15
Michnick, S.16
Ngo, T.17
Nguyen, D.T.18
Prodhom, B.19
Reiher W.E. III20
Roux, B.21
Schlenkrich, M.22
Smith, J.C.23
Stote, R.24
Straub, J.25
Watanabe, M.26
Wiorkiewicz-Kuczera, J.27
Yin, D.28
Karplus, M.29
more..
-
76
-
-
0037116518
-
Polyunsaturated fatty acids in lipid bilayers: Intrinsic and environmental contributions to their unique physical properties
-
Feller, S. E.; Gawrisch, K.; MackKerell, A. D., Jr. Polyunsaturated fatty acids in lipid bilayers: intrinsic and environmental contributions to their unique physical properties. J. Am. Chem. Soc. 2002, 124, 318-326.
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 318-326
-
-
Feller, S.E.1
Gawrisch, K.2
MackKerell A.D., Jr.3
-
77
-
-
84973857317
-
ART 2: Self-organization of stable category recognition codes for analog input patterns
-
Carpenter, G. A.; Grossberg, S. ART 2: Self-organization of stable category recognition codes for analog input patterns. Appl. Opt. 1987, 26, 4919-4930.
-
(1987)
Appl. Opt.
, vol.26
, pp. 4919-4930
-
-
Carpenter, G.A.1
Grossberg, S.2
-
78
-
-
0027393187
-
Statistical clustering techniques for analysis of long molecular dynamics trajectories. I: Analysis of 2.2 ns trajectories of YPGDV
-
Karpen, M. E.; Tobias, D. T.; Brooks, C. L., III Statistical clustering techniques for analysis of long molecular dynamics trajectories. I: Analysis of 2.2 ns trajectories of YPGDV. Biochemistry 1993, 32, 412-420.
-
(1993)
Biochemistry
, vol.32
, pp. 412-420
-
-
Karpen, M.E.1
Tobias, D.T.2
Brooks C.L. III3
-
79
-
-
0001535816
-
Combinatorial preferences affect molecular similarity/diversity calculations using binary fingerprints and Tanimoto coefficients
-
Godden, J. W.; Xue, L.; Bajorath, J. Combinatorial Preferences Affect Molecular Similarity/Diversity Calculations Using Binary Fingerprints and Tanimoto Coefficients. J. Chem. Inf. Comput. Sci. 2000, 40, 163-166.
-
(2000)
J. Chem. Inf. Comput. Sci.
, vol.40
, pp. 163-166
-
-
Godden, J.W.1
Xue, L.2
Bajorath, J.3
-
80
-
-
0028157007
-
3 dopamine receptor
-
3 dopamine receptor. J. Pharmacol. Exp. Ther. 1994, 268, 417-426.
-
(1994)
J. Pharmacol. Exp. Ther.
, vol.268
, pp. 417-426
-
-
Freedman, B.S.1
Patel, S.2
Marwood, R.3
Emms, F.4
Seabrook, G.R.5
Knowles, M.R.6
McAllister, G.7
-
82
-
-
6844258179
-
2 agonist pharmacophore. Structure-activity relationships of a series of 2-(aminomethyl)chromans
-
2 agonist pharmacophore. Structure-activity relationships of a series of 2-(aminomethyl)chromans. J. Med. Chem. 1997, 40, 4235-4256.
-
(1997)
J. Med. Chem.
, vol.40
, pp. 4235-4256
-
-
Mewshaw, R.E.1
Kavanagh, J.2
Stack, G.3
Marquis, K.L.4
Shi, X.5
Kagan, M.Z.6
Webb, M.B.7
Katz, A.H.8
Park, A.9
Kang, Y.H.10
Abou-Gharbia, M.11
Scerni, R.12
Wasik, T.13
Cortes-Burgos, L.14
Spangler, T.15
Brennan, J.A.16
Piesla, M.17
Mazandarani, H.18
Cockett, M.I.19
Ochalski, R.20
Coupet, J.21
Andree, T.H.22
more..
-
83
-
-
0032463041
-
3 receptor antagonists (+)-S14297, nafadotride, GR103, 691 and U99194
-
3 receptor antagonists (+)-S14297, nafadotride, GR103, 691 and U99194. J. Pharmacol. Exp. Ther. 1998, 287, 187-197.
-
(1998)
J. Pharmacol. Exp. Ther.
, vol.287
, pp. 187-197
-
-
Audinot, V.1
Newman-Tancredi, A.2
Gobert, A.3
Rivet, J.-M.4
Brocco, M.5
Lejeune, F.6
Gluck, L.7
Desposte, I.8
Bervoets, K.9
Dekeyne, A.10
Millan, M.J.11
-
84
-
-
0031758016
-
3 dopamine receptor to ligand binding and sensitivity to external oxidizing agents
-
3 dopamine receptor to ligand binding and sensitivity to external oxidizing agents. Br. J. Pharmacol. 1998, 125, 705-710.
-
(1998)
Br. J. Pharmacol.
, vol.125
, pp. 705-710
-
-
Alberts, G.L.1
Pregenzer, J.F.2
Im, W.B.3
-
85
-
-
0029562808
-
2 receptors elicits prolactin secretion and catalepsy
-
2 receptors elicits prolactin secretion and catalepsy. J. Pharmacol. Exp. Ther. 1995, 275, 885-898.
-
(1995)
J. Pharmacol. Exp. Ther.
, vol.275
, pp. 885-898
-
-
Millan, M.J.1
Peglion, J.L.2
Rivet, J.M.3
Brocco, M.4
Gober, A.5
Newman-Tancredi, A.6
Dacquet, C.7
Bervoets, K.8
Girardon, S.9
-
87
-
-
0033989547
-
The effects of benzamide analogues on cocaine self-administration in rhesus monkeys
-
Nader, M. A.; Green, K. L.; Luedtke, R. R.; Mach, R. H. The effects of benzamide analogues on cocaine self-administration in rhesus monkeys. Psychopharmacology 1999, 147, 143-152.
-
(1999)
Psychopharmacology
, vol.147
, pp. 143-152
-
-
Nader, M.A.1
Green, K.L.2
Luedtke, R.R.3
Mach, R.H.4
-
88
-
-
0034089063
-
3 receptors: I. Receptorial, electrophysiological and neurochemical profile compared with GR218,231 and L741,626
-
3 receptors: I. Receptorial, electrophysiological and neurochemical profile compared with GR218,231 and L741,626. J. Pharmacol. Exp. Ther. 2000, 293, 1048-1062.
-
(2000)
J. Pharmacol. Exp. Ther.
, vol.293
, pp. 1048-1062
-
-
Millan, M.J.1
Gobert, A.2
Newman-Tancredi, A.3
Lejeune, F.4
Cussac, D.5
Rivet, J.-M.6
Audinot, V.7
Dubuffet, T.8
Lavielle, G.9
-
89
-
-
0028978256
-
CI-1007, a dopamine partial agonist and potential antipsychotic agent. I. Neurochemical effects
-
Pugsley, T. A.; Davis, M. D.; Akunne, H. C.; Cooke, L. W.; Whetzel, S. Z.; MacKenzie, R. G.; Shih, Y. H.; van Leeuwen, D. H.; DeMattos, S. B.; Georgic, L. M. CI-1007, a dopamine partial agonist and potential antipsychotic agent. I. Neurochemical effects. J. Pharmacol. Exp. Ther. 1995, 274, 898-911.
-
(1995)
J. Pharmacol. Exp. Ther.
, vol.274
, pp. 898-911
-
-
Pugsley, T.A.1
Davis, M.D.2
Akunne, H.C.3
Cooke, L.W.4
Whetzel, S.Z.5
MacKenzie, R.G.6
Shih, Y.H.7
Van Leeuwen, D.H.8
DeMattos, S.B.9
Georgic, L.M.10
-
90
-
-
0027489177
-
Substituted 3-phenylpiperidines: New centrally acting dopamine autoreceptor antagonists
-
Sonesson, C.; Waters, N.; Svensson, K.; Carlsson, A.; Smith, M. W.; Piercey, M. F.; Meier, E.; Wikstrom, H. Substituted 3-phenylpiperidines: new centrally acting dopamine autoreceptor antagonists. J. Med. Chem. 1993, 36, 3188-3196.
-
(1993)
J. Med. Chem.
, vol.36
, pp. 3188-3196
-
-
Sonesson, C.1
Waters, N.2
Svensson, K.3
Carlsson, A.4
Smith, M.W.5
Piercey, M.F.6
Meier, E.7
Wikstrom, H.8
-
91
-
-
0030734001
-
(Dipropylamino)-tetrahydronaphthofurans: Centrally acting serotonin agonists and dopamine agonists-antagonists
-
Stjernlof, P.; Lin, C.-H.; Sonesson, C.; Svensson, K.; Smith, M. W. (Dipropylamino)-tetrahydronaphthofurans: centrally acting serotonin agonists and dopamine agonists-antagonists. Bioorg. Med. Chem. Lett. 1997, 7, 2759-2764.
-
(1997)
Bioorg. Med. Chem. Lett.
, vol.7
, pp. 2759-2764
-
-
Stjernlof, P.1
Lin, C.-H.2
Sonesson, C.3
Svensson, K.4
Smith, M.W.5
|