-
1
-
-
78649722214
-
Suppression of nitric oxide synthesis by L-NAME reverses the beneficial effects of pioglitazone on scopolamine-induced memory impairment in mice
-
N. Allami, M. Javadi-Paydar, F. Rayatnia, K. Sehhat, R. Rahimian, A. Norouzi, and A.R. Dehpour Suppression of nitric oxide synthesis by L-NAME reverses the beneficial effects of pioglitazone on scopolamine-induced memory impairment in mice Eur. J. Pharmacol. 650 2011 240 248 10.1016/j.ejphar.2010.10.007
-
(2011)
Eur. J. Pharmacol.
, vol.650
, pp. 240-248
-
-
Allami, N.1
Javadi-Paydar, M.2
Rayatnia, F.3
Sehhat, K.4
Rahimian, R.5
Norouzi, A.6
Dehpour, A.R.7
-
2
-
-
0032007608
-
Do novel antipsychotics have similar pharmacological characteristics? A review of the evidence
-
J. Arnt, and T. Skarsfeldt Do novel antipsychotics have similar pharmacological characteristics? A review of the evidence Neuropsychopharmacology 18 1998 63 101 10.1016/S0893-133X(97)00112-7
-
(1998)
Neuropsychopharmacology
, vol.18
, pp. 63-101
-
-
Arnt, J.1
Skarsfeldt, T.2
-
3
-
-
84900782041
-
Quetiapine versus other atypical antipsychotics for schizophrenia
-
L. Asmal, S.J. Flegar, J. Wang, C. Rummel-Kluge, K. Komossa, and S. Leucht Quetiapine versus other atypical antipsychotics for schizophrenia Cochrane Database Syst. Rev. 11 2013 CD006625 10.1002/14651858.CD006625.pub3
-
(2013)
Cochrane Database Syst. Rev.
, vol.11
, pp. CD006625
-
-
Asmal, L.1
Flegar, S.J.2
Wang, J.3
Rummel-Kluge, C.4
Komossa, K.5
Leucht, S.6
-
4
-
-
68049098071
-
Effects of the cannabinoid receptor ligands on anxiety-related effects of d-amphetamine and nicotine in the mouse elevated plus maze test
-
G. Biala, M. Kruk, and B. Budzynska Effects of the cannabinoid receptor ligands on anxiety-related effects of d-amphetamine and nicotine in the mouse elevated plus maze test J. Physiol. Pharmacol. Off. J. Pol. Physiol. Soc. 60 2009 113 122
-
(2009)
J. Physiol. Pharmacol. Off. J. Pol. Physiol. Soc.
, vol.60
, pp. 113-122
-
-
Biala, G.1
Kruk, M.2
Budzynska, B.3
-
5
-
-
0030067199
-
Antipsychotic and anxiolytic properties of risperidone, haloperidol, and methotrimeprazine in schizophrenic patients
-
O. Blin, J.M. Azorin, and P. Bouhours Antipsychotic and anxiolytic properties of risperidone, haloperidol, and methotrimeprazine in schizophrenic patients J. Clin. Psychopharmacol. 16 1996 38 44
-
(1996)
J. Clin. Psychopharmacol.
, vol.16
, pp. 38-44
-
-
Blin, O.1
Azorin, J.M.2
Bouhours, P.3
-
6
-
-
34548283148
-
Scalable algorithms for molecular dynamics simulations on commodity clusters
-
K.J. Bowers, E. Chow, H. Xu, R.O. Dror, M.P. Eastwood, B.A. Gregersen, J.I. Klepeis, I. Kolossváry, M.A. Moraes, F.A. Sacerdoti, J.K. Salmon, Y. Shan, and D.E. Shaw Scalable algorithms for molecular dynamics simulations on commodity clusters Proceedings of the ACM/IEEE Conference on Supercomputing (SC06), Tampa, Florida, November 11-17 2006
-
(2006)
Proceedings of the ACM/IEEE Conference on Supercomputing (SC06), Tampa, Florida, November 11-17
-
-
Bowers, K.J.1
Chow, E.2
Xu, H.3
Dror, R.O.4
Eastwood, M.P.5
Gregersen, B.A.6
Klepeis, J.I.7
Kolossváry, I.8
Moraes, M.A.9
Sacerdoti, F.A.10
Salmon, J.K.11
Shan, Y.12
Shaw, D.E.13
-
7
-
-
33745957973
-
QF2004B, a potential antipsychotic butyrophenone derivative with similar pharmacological properties to clozapine
-
J. Brea, M. Castro, M.I. Loza, C.F. Masaguer, E. Raviña, C. Dezi, M. Pastor, F. Sanz, A. Cabrero-Castel, B. Galán-Rodríguez, E. Fernández-Espejo, R. Maldonado, and P. Robledo QF2004B, a potential antipsychotic butyrophenone derivative with similar pharmacological properties to clozapine Neuropharmacology 51 2006 251 262 10.1016/j.neuropharm.2006.03.021
-
(2006)
Neuropharmacology
, vol.51
, pp. 251-262
-
-
Brea, J.1
Castro, M.2
Loza, M.I.3
Masaguer, C.F.4
Raviña, E.5
Dezi, C.6
Pastor, M.7
Sanz, F.8
Cabrero-Castel, A.9
Galán-Rodríguez, B.10
Fernández-Espejo, E.11
Maldonado, R.12
Robledo, P.13
-
8
-
-
84861536099
-
Evaluation of the behavioral and pharmacokinetic profile of SYA013, a homopiperazine analog of haloperidol in rats
-
B. Bricker, T. Jackson, B. Boateng, X.Y. Zhu, and S.Y. Ablordeppey Evaluation of the behavioral and pharmacokinetic profile of SYA013, a homopiperazine analog of haloperidol in rats Pharmacol. Biochem. Behav. 102 2012 294 301 10.1016/j.pbb.2012.05.003
-
(2012)
Pharmacol. Biochem. Behav.
, vol.102
, pp. 294-301
-
-
Bricker, B.1
Jackson, T.2
Boateng, B.3
Zhu, X.Y.4
Ablordeppey, S.Y.5
-
9
-
-
84884148727
-
Effects of imperatorin on nicotine-induced anxiety- and memory-related responses and oxidative stress in mice
-
B. Budzynska, A. Boguszewska-Czubara, M. Kruk-Slomka, K. Skalicka-Wozniak, A. Michalak, I. Musik, G. Biala, and K. Glowniak Effects of imperatorin on nicotine-induced anxiety- and memory-related responses and oxidative stress in mice Physiol. Behav. 122 2013 46 55 10.1016/j.physbeh.2013.08.019
-
(2013)
Physiol. Behav.
, vol.122
, pp. 46-55
-
-
Budzynska, B.1
Boguszewska-Czubara, A.2
Kruk-Slomka, M.3
Skalicka-Wozniak, K.4
Michalak, A.5
Musik, I.6
Biala, G.7
Glowniak, K.8
-
10
-
-
84901926042
-
Evaluation of the antidepressant, anxiolytic and memory-improving efficacy of aripiprazole and fluoxetine in ethanol-treated rats
-
K. Burda-Malarz, K. Kus, P. Ratajczak, A. Czubak, S. Hardyk, and E. Nowakowska Evaluation of the antidepressant, anxiolytic and memory-improving efficacy of aripiprazole and fluoxetine in ethanol-treated rats Drug Chem. Toxicol. 37 2014 281 289 10.3109/01480545.2013.851687
-
(2014)
Drug Chem. Toxicol.
, vol.37
, pp. 281-289
-
-
Burda-Malarz, K.1
Kus, K.2
Ratajczak, P.3
Czubak, A.4
Hardyk, S.5
Nowakowska, E.6
-
11
-
-
84874427933
-
Mapping the functional binding sites of cholesterol in β2-adrenergic receptor by long-time molecular dynamics simulations
-
X. Cang, Y. Du, Y. Mao, Y. Wang, H. Yang, and H. Jiang Mapping the functional binding sites of cholesterol in β2-adrenergic receptor by long-time molecular dynamics simulations J. Phys. Chem. B 117 2013 1085 1094 10.1021/jp3118192
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 1085-1094
-
-
Cang, X.1
Du, Y.2
Mao, Y.3
Wang, Y.4
Yang, H.5
Jiang, H.6
-
12
-
-
0015861774
-
Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction
-
Y. Cheng, and W.H. Prusoff Relationship between the inhibition constant (K1) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction Biochem. Pharmacol. 22 1973 3099 3108
-
(1973)
Biochem. Pharmacol.
, vol.22
, pp. 3099-3108
-
-
Cheng, Y.1
Prusoff, W.H.2
-
13
-
-
78449305788
-
Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist
-
E.Y.T. Chien, W. Liu, Q. Zhao, V. Katritch, G.W. Han, M.A. Hanson, L. Shi, A.H. Newman, J.A. Javitch, V. Cherezov, and R.C. Stevens Structure of the human dopamine D3 receptor in complex with a D2/D3 selective antagonist Science 330 2010 1091 1095 10.1126/science.1197410
-
(2010)
Science
, vol.330
, pp. 1091-1095
-
-
Chien, E.Y.T.1
Liu, W.2
Zhao, Q.3
Katritch, V.4
Han, G.W.5
Hanson, M.A.6
Shi, L.7
Newman, A.H.8
Javitch, J.A.9
Cherezov, V.10
Stevens, R.C.11
-
14
-
-
56249118049
-
Novel D3 selective dopaminergics incorporating enyne units as nonaromatic catechol bioisosteres: Synthesis, bioactivity, and mutagenesis studies
-
M. Dörfler, N. Tschammer, K. Hamperl, H. Hübner, and P. Gmeiner Novel D3 selective dopaminergics incorporating enyne units as nonaromatic catechol bioisosteres: synthesis, bioactivity, and mutagenesis studies J. Med. Chem. 51 2008 6829 6838 10.1021/jm800895v
-
(2008)
J. Med. Chem.
, vol.51
, pp. 6829-6838
-
-
Dörfler, M.1
Tschammer, N.2
Hamperl, K.3
Hübner, H.4
Gmeiner, P.5
-
15
-
-
84887620421
-
Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs
-
R.O. Dror, H.F. Green, C. Valant, D.W. Borhani, J.R. Valcourt, A.C. Pan, D.H. Arlow, M. Canals, J.R. Lane, R. Rahmani, J.B. Baell, P.M. Sexton, A. Christopoulos, and D.E. Shaw Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs Nature 503 2013 295 299 10.1038/nature12595
-
(2013)
Nature
, vol.503
, pp. 295-299
-
-
Dror, R.O.1
Green, H.F.2
Valant, C.3
Borhani, D.W.4
Valcourt, J.R.5
Pan, A.C.6
Arlow, D.H.7
Canals, M.8
Lane, J.R.9
Rahmani, R.10
Baell, J.B.11
Sexton, P.M.12
Christopoulos, A.13
Shaw, D.E.14
-
17
-
-
84924807245
-
Pregnancy exposure to olanzapine, quetiapine, risperidone, aripiprazole and risk of congenital mlformations. A systematic review
-
Z.N. Ennis, and P. Damkier Pregnancy exposure to olanzapine, quetiapine, risperidone, aripiprazole and risk of congenital mlformations. A systematic review Basic Clin. Pharmacol. Toxicol. 116 2015 315 320 10.1111/bcpt.12372
-
(2015)
Basic Clin. Pharmacol. Toxicol.
, vol.116
, pp. 315-320
-
-
Ennis, Z.N.1
Damkier, P.2
-
18
-
-
84966515593
-
-
Epik Version 2.1. Schrödinger 2010 LLC New York
-
Epik Version 2.1. Schrödinger 2010 LLC New York
-
-
-
-
19
-
-
41149132407
-
-
Suppl. 15 John Wiley & Sons, Inc.
-
N. Eswar, Marti-Renom, B. Webb, M.S. Madhusudhan, D. Eramian, M. Shen, U. Pieper, and A. Sali Comparative Protein Structure Modeling with MODELLER. Current Protocols in Bioinformatics Suppl. 15 2006 John Wiley & Sons, Inc. 5.6.1 5.6.30
-
(2006)
Comparative Protein Structure Modeling with MODELLER. Current Protocols in Bioinformatics
, pp. 561-5630
-
-
Eswar, N.1
Marti-Renom2
Webb, B.3
Madhusudhan, M.S.4
Eramian, D.5
Shen, M.6
Pieper, U.7
Sali, A.8
-
20
-
-
84888181413
-
Animal models for predicting the efficacy and side effects of antipsychotic drugs
-
São Paulo Braz. 1999
-
P.H. Gobira, J. Ropke, D.C. Aguiar, J.A.S. Crippa, and F.A. Moreira Animal models for predicting the efficacy and side effects of antipsychotic drugs São Paulo Braz. 1999 Rev. Bras. Psiquiatr. 35 Suppl. 2 2013 S132 S139 10.1590/1516-4446-2013-1164
-
(2013)
Rev. Bras. Psiquiatr.
, vol.35
, pp. S132-S139
-
-
Gobira, P.H.1
Ropke, J.2
Aguiar, D.C.3
Crippa, J.A.S.4
Moreira, F.A.5
-
21
-
-
84885903105
-
Simulating G protein-coupled receptors in native-like membranes: From monomers to oligomers
-
R. Guixà-González, J.M. Ramírez-Anguita, A.A. Kaczor, and J. Selent Simulating G protein-coupled receptors in native-like membranes: from monomers to oligomers Methods Cell Biol. 117 2013 63 90 10.1016/B978-0-12-408143-7.00004-9
-
(2013)
Methods Cell Biol.
, vol.117
, pp. 63-90
-
-
Guixà-González, R.1
Ramírez-Anguita, J.M.2
Kaczor, A.A.3
Selent, J.4
-
22
-
-
54249166152
-
Subnanomolar dopamine D3 receptor antagonism coupled to moderate D2 affinity results in favourable antipsychotic-like activity in rodent models: II. Behavioural characterisation of RG-15
-
I. Gyertyán, K. Sághy, J. Laszy, O. Elekes, R. Kedves, L.I. Gémesi, G. Pásztor, M. Zájer-Balázs, M. Kapás, E. Agai Csongor, G. Domány, B. Kiss, and Z. Szombathelyi Subnanomolar dopamine D3 receptor antagonism coupled to moderate D2 affinity results in favourable antipsychotic-like activity in rodent models: II. Behavioural characterisation of RG-15 Naunyn Schmiedeb. Arch. Pharmacol. 378 2008 529 539 10.1007/s00210-008-0311-x
-
(2008)
Naunyn Schmiedeb. Arch. Pharmacol.
, vol.378
, pp. 529-539
-
-
Gyertyán, I.1
Sághy, K.2
Laszy, J.3
Elekes, O.4
Kedves, R.5
Gémesi, L.I.6
Pásztor, G.7
Zájer-Balázs, M.8
Kapás, M.9
Agai Csongor, E.10
Domány, G.11
Kiss, B.12
Szombathelyi, Z.13
-
23
-
-
74949104026
-
Effect of second-generation antipsychotics on cognition: Current issues and future challenges
-
S.K. Hill, J.R. Bishop, D. Palumbo, and J.A. Sweeney Effect of second-generation antipsychotics on cognition: current issues and future challenges Expert Rev. Neurother. 10 2010 43 57 10.1586/ern.09.143
-
(2010)
Expert Rev. Neurother.
, vol.10
, pp. 43-57
-
-
Hill, S.K.1
Bishop, J.R.2
Palumbo, D.3
Sweeney, J.A.4
-
24
-
-
0026488456
-
The role of conserved aspartate and serine residues in ligand binding and in function of the 5-HT1A receptor: A site-directed mutation study
-
B.Y. Ho, A. Karschin, T. Branchek, N. Davidson, and H.A. Lester The role of conserved aspartate and serine residues in ligand binding and in function of the 5-HT1A receptor: a site-directed mutation study FEBS Lett. 312 1992 259 262
-
(1992)
FEBS Lett.
, vol.312
, pp. 259-262
-
-
Ho, B.Y.1
Karschin, A.2
Branchek, T.3
Davidson, N.4
Lester, H.A.5
-
25
-
-
77957328835
-
Nicotine withdrawal increases threat-induced anxiety but not fear: Neuroadaptation in human addiction
-
J.M. Hogle, J.T. Kaye, and J.J. Curtin Nicotine withdrawal increases threat-induced anxiety but not fear: neuroadaptation in human addiction Biol. Psychiatry 68 2010 719 725 10.1016/j.biopsych.2010.06.003
-
(2010)
Biol. Psychiatry
, vol.68
, pp. 719-725
-
-
Hogle, J.M.1
Kaye, J.T.2
Curtin, J.J.3
-
27
-
-
0034741123
-
Dopamine D3 receptor as a therapeutic target for antipsychotic and antiparkinsonian drugs
-
J.N. Joyce Dopamine D3 receptor as a therapeutic target for antipsychotic and antiparkinsonian drugs Pharmacol. Ther. 90 2001 231 259
-
(2001)
Pharmacol. Ther.
, vol.90
, pp. 231-259
-
-
Joyce, J.N.1
-
28
-
-
84913603586
-
Synthesis, in vitro and in vivo studies, and molecular modeling of N-alkylated dextromethorphan derivatives as non-competitive inhibitors of α3β4 nicotinic acetylcholine receptor
-
K. Jozwiak, K.M. Targowska-Duda, A.A. Kaczor, J. Kozak, A. Ligeza, E. Szacon, T.M. Wrobel, B. Budzynska, G. Biala, E. Fornal, A. Poso, I.W. Wainer, and D. Matosiuk Synthesis, in vitro and in vivo studies, and molecular modeling of N-alkylated dextromethorphan derivatives as non-competitive inhibitors of α3β4 nicotinic acetylcholine receptor Bioorg. Med. Chem. 22 2014 6846 6856 10.1016/j.bmc.2014.10.036
-
(2014)
Bioorg. Med. Chem.
, vol.22
, pp. 6846-6856
-
-
Jozwiak, K.1
Targowska-Duda, K.M.2
Kaczor, A.A.3
Kozak, J.4
Ligeza, A.5
Szacon, E.6
Wrobel, T.M.7
Budzynska, B.8
Biala, G.9
Fornal, E.10
Poso, A.11
Wainer, I.W.12
Matosiuk, D.13
-
29
-
-
84892368749
-
Structural studies, homology modeling and molecular docking of novel non-competitive antagonists of GluK1/GluK2 receptors
-
A.A. Kaczor, Z. Karczmarzyk, A. Fruziński, K. Pihlaja, J. Sinkkonen, K. Wiinämaki, C. Kronbach, K. Unverferth, A. Poso, and D. Matosiuk Structural studies, homology modeling and molecular docking of novel non-competitive antagonists of GluK1/GluK2 receptors Bioorg. Med. Chem. 22 2014 787 795 10.1016/j.bmc.2013.12.013
-
(2014)
Bioorg. Med. Chem.
, vol.22
, pp. 787-795
-
-
Kaczor, A.A.1
Karczmarzyk, Z.2
Fruziński, A.3
Pihlaja, K.4
Sinkkonen, J.5
Wiinämaki, K.6
Kronbach, C.7
Unverferth, K.8
Poso, A.9
Matosiuk, D.10
-
30
-
-
84961262758
-
Structure-based virtual screening for dopamine D2 receptor antagonists as potential antipsychotics
-
press
-
A.A. Kaczor, A.G. Silva, M.I. Loza, P. Kolb, M. Castro, and A. Poso Structure-based virtual screening for dopamine D2 receptor antagonists as potential antipsychotics Chem. Med. Chem. 2016 10.1002/cmdc.201500599 (in press)
-
(2016)
Chem. Med. Chem.
-
-
Kaczor, A.A.1
Silva, A.G.2
Loza, M.I.3
Kolb, P.4
Castro, M.5
Poso, A.6
-
31
-
-
84966603048
-
Comparative molecular field analysis (CoMFA) and molecular dynamics studies of dopamine D2 receptor antagonists without a protonable nitrogen atom
-
submitted
-
A.A. Kaczor, J. Zuk, and D. Matosiuk Comparative molecular field analysis (CoMFA) and molecular dynamics studies of dopamine D2 receptor antagonists without a protonable nitrogen atom Med. Chem. Res. 2016 (submitted)
-
(2016)
Med. Chem. Res.
-
-
Kaczor, A.A.1
Zuk, J.2
Matosiuk, D.3
-
33
-
-
57749100301
-
Building a better antipsychotic: Receptor targets for the treatment of multiple symptom dimensions of schizophrenia
-
D.H. Kim, M.J. Maneen, and S.M. Stahl Building a better antipsychotic: receptor targets for the treatment of multiple symptom dimensions of schizophrenia Neurotherapeutics 6 2009 78 85 10.1016/j.nurt.2008.10.020
-
(2009)
Neurotherapeutics
, vol.6
, pp. 78-85
-
-
Kim, D.H.1
Maneen, M.J.2
Stahl, S.M.3
-
34
-
-
52949128037
-
A role for the 5-HT1A, 5-HT4 and 5-HT6 receptors in learning and memory
-
M.V. King, C.A. Marsden, and K.C. Fone A role for the 5-HT1A, 5-HT4 and 5-HT6 receptors in learning and memory Trends Pharmacol. Sci. 29 2008 482 492
-
(2008)
Trends Pharmacol. Sci.
, vol.29
, pp. 482-492
-
-
King, M.V.1
Marsden, C.A.2
Fone, K.C.3
-
36
-
-
84893831668
-
Schizophrenia: From dopaminergic to glutamatergic interventions
-
M. Laruelle Schizophrenia: from dopaminergic to glutamatergic interventions Curr. Opin. Pharmacol. 14 2014 97 102 10.1016/j.coph.2014.01.001
-
(2014)
Curr. Opin. Pharmacol.
, vol.14
, pp. 97-102
-
-
Laruelle, M.1
-
37
-
-
84864058353
-
Molecular insights into the D1R agonist and D2R/D3R antagonist effects of the natural product (-)-stepholidine: Molecular modeling and dynamics simulations
-
B. Li, W. Li, P. Du, K.Q. Yu, and W. Fu Molecular insights into the D1R agonist and D2R/D3R antagonist effects of the natural product (-)-stepholidine: molecular modeling and dynamics simulations J. Phys. Chem. B 116 2012 8121 8130 10.1021/jp3049235
-
(2012)
J. Phys. Chem. B
, vol.116
, pp. 8121-8130
-
-
Li, B.1
Li, W.2
Du, P.3
Yu, K.Q.4
Fu, W.5
-
38
-
-
84966513765
-
-
LigPrep Version 2.4. Schrödinger 2010 LLC New York
-
LigPrep Version 2.4. Schrödinger 2010 LLC New York
-
-
-
-
39
-
-
0023255981
-
The use of a plus-maze to measure anxiety in the mouse
-
R.G. Lister The use of a plus-maze to measure anxiety in the mouse Psychopharmacol. Berl. 92 1987 180 185
-
(1987)
Psychopharmacol. Berl.
, vol.92
, pp. 180-185
-
-
Lister, R.G.1
-
40
-
-
84904981694
-
Brexpiprazole II: Antipsychotic-like and procognitive effects of a novel serotonin-dopamine activity modulator
-
K. Maeda, L. Lerdrup, H. Sugino, H. Akazawa, N. Amada, R.D. McQuade, T.B. Stensbøl, C. Bundgaard, J. Arnt, and T. Kikuchi Brexpiprazole II: antipsychotic-like and procognitive effects of a novel serotonin-dopamine activity modulator J. Pharmacol. Exp. Ther. 350 2014 605 614 10.1124/jpet.114.213819
-
(2014)
J. Pharmacol. Exp. Ther.
, vol.350
, pp. 605-614
-
-
Maeda, K.1
Lerdrup, L.2
Sugino, H.3
Akazawa, H.4
Amada, N.5
McQuade, R.D.6
Stensbøl, T.B.7
Bundgaard, C.8
Arnt, J.9
Kikuchi, T.10
-
41
-
-
84908031988
-
A dynamic view of molecular switch behavior at serotonin receptors: Implications for functional selectivity
-
M. Martí-Solano, F. Sanz, M. Pastor, and J. Selent A dynamic view of molecular switch behavior at serotonin receptors: implications for functional selectivity PloS One 9 2014 e109312 10.1371/journal.pone.0109312
-
(2014)
PloS One
, vol.9
, pp. e109312
-
-
Martí-Solano, M.1
Sanz, F.2
Pastor, M.3
Selent, J.4
-
42
-
-
84956677842
-
Drugging specific conformational states of GPCRs: Challenges and opportunities for computational chemistry
-
M. Martí-Solano, D. Schmidt, P. Kolb, and J. Selent Drugging specific conformational states of GPCRs: challenges and opportunities for computational chemistry pii: S1359-6446(16)00029-5 Drug Discov. Today 2016 10.1016/j.drudis.2016.01.009
-
(2016)
Drug Discov. Today
-
-
Martí-Solano, M.1
Schmidt, D.2
Kolb, P.3
Selent, J.4
-
43
-
-
84922765979
-
(-)-Stepholidine is a potent pan-dopamine receptor antagonist of both G protein- and β-arrestin-mediated signaling
-
J.A. Meade, R.B. Free, N.R. Miller, L.S. Chun, T.B. Doyle, A.E. Moritz, J.L. Conroy, V.J. Watts, and D.R. Sibley (-)-Stepholidine is a potent pan-dopamine receptor antagonist of both G protein- and β-arrestin-mediated signaling Psychopharmacol. Berl. 232 2015 917 930 10.1007/s00213-014-3726-8
-
(2015)
Psychopharmacol. Berl.
, vol.232
, pp. 917-930
-
-
Meade, J.A.1
Free, R.B.2
Miller, N.R.3
Chun, L.S.4
Doyle, T.B.5
Moritz, A.E.6
Conroy, J.L.7
Watts, V.J.8
Sibley, D.R.9
-
44
-
-
79953689886
-
The role of serotonin receptors in the action of atypical antipsychotic drugs
-
H.Y. Meltzer, and B.W. Massey The role of serotonin receptors in the action of atypical antipsychotic drugs Curr. Opin. Pharmacol. 11 2011 59 67
-
(2011)
Curr. Opin. Pharmacol.
, vol.11
, pp. 59-67
-
-
Meltzer, H.Y.1
Massey, B.W.2
-
45
-
-
84862609103
-
Serotonin receptors as targets for drugs useful to treat psychosis and cognitive impairment in schizophrenia
-
H.Y. Meltzer, B.W. Massey, and M. Horiguchi Serotonin receptors as targets for drugs useful to treat psychosis and cognitive impairment in schizophrenia Curr. Pharm. Biotechnol. 13 2012 1572 1586 10.2174/138920112800784880
-
(2012)
Curr. Pharm. Biotechnol.
, vol.13
, pp. 1572-1586
-
-
Meltzer, H.Y.1
Massey, B.W.2
Horiguchi, M.3
-
46
-
-
12344326514
-
Treatments for schizophrenia: A critical review of pharmacology and mechanisms of action of antipsychotic drugs
-
S. Miyamoto, G.E. Duncan, C.E. Marx, and J.A. Lieberman Treatments for schizophrenia: a critical review of pharmacology and mechanisms of action of antipsychotic drugs Mol. Psychiatry 10 2005 79 104
-
(2005)
Mol. Psychiatry
, vol.10
, pp. 79-104
-
-
Miyamoto, S.1
Duncan, G.E.2
Marx, C.E.3
Lieberman, J.A.4
-
47
-
-
84966575970
-
-
MOE Molecular Environment, (n.d)
-
MOE Molecular Environment, http://www.chemcomp.com/software.htm, (n.d).
-
-
-
-
48
-
-
79957707203
-
Two distinct conformations of helix 6 observed in antagonist-bound structures of a beta1-adrenergic receptor
-
R. Moukhametzianov, T. Warne, P.C. Edwards, M.J. Serrano-Vega, A.G.W. Leslie, C.G. Tate, and G.F.X. Schertler Two distinct conformations of helix 6 observed in antagonist-bound structures of a beta1-adrenergic receptor Proc. Natl. Acad. Sci. U. S. A. 108 2011 8228 8232 10.1073/pnas.1100185108
-
(2011)
Proc. Natl. Acad. Sci. U. S. A.
, vol.108
, pp. 8228-8232
-
-
Moukhametzianov, R.1
Warne, T.2
Edwards, P.C.3
Serrano-Vega, M.J.4
Leslie, A.G.W.5
Tate, C.G.6
Schertler, G.F.X.7
-
49
-
-
51449123844
-
Serotonin 5-HT1A receptor binding in people with panic disorder: Positron emission tomography study
-
C.J.R. Nash, P.A. Sargent, E.A. Rabiner, S.D. Hood, S.V. Argyropoulos, J.P. Potokar, P.M. Grasby, and D.J. Nutt Serotonin 5-HT1A receptor binding in people with panic disorder: positron emission tomography study Br. J. Psychiatry 193 3 2008 229 234
-
(2008)
Br. J. Psychiatry
, vol.193
, Issue.3
, pp. 229-234
-
-
Nash, C.J.R.1
Sargent, P.A.2
Rabiner, E.A.3
Hood, S.D.4
Argyropoulos, S.V.5
Potokar, J.P.6
Grasby, P.M.7
Nutt, D.J.8
-
50
-
-
79961166634
-
Comparative pharmacology of antipsychotics possessing combined dopamine D2 and serotonin 5-HT1A receptor properties
-
A. Newman-Tancredi, and M.S. Kleven Comparative pharmacology of antipsychotics possessing combined dopamine D2 and serotonin 5-HT1A receptor properties Psychopharmacology 16 4 2011 451 473
-
(2011)
Psychopharmacology
, vol.16
, Issue.4
, pp. 451-473
-
-
Newman-Tancredi, A.1
Kleven, M.S.2
-
51
-
-
77954122304
-
The importance of 5-HT1A receptor agonism in antipsychotic drug action: Rationale and perspectives
-
A. Newman-Tancredi The importance of 5-HT1A receptor agonism in antipsychotic drug action: rationale and perspectives Curr. Opin. Investig. Drugs 11 7 2010 802 812
-
(2010)
Curr. Opin. Investig. Drugs
, vol.11
, Issue.7
, pp. 802-812
-
-
Newman-Tancredi, A.1
-
52
-
-
84877323255
-
Amisulpride promotes cognitive flexibility in rats: The role of 5-HT7 receptors
-
A. Nikiforuk, and P. Popik Amisulpride promotes cognitive flexibility in rats: the role of 5-HT7 receptors Behav. Brain Res. 248 2013 136 140 10.1016/j.bbr.2013.04.008
-
(2013)
Behav. Brain Res.
, vol.248
, pp. 136-140
-
-
Nikiforuk, A.1
Popik, P.2
-
53
-
-
30444455296
-
Homology modeling of the serotonin 5-HT1A receptor using automated docking of bioactive compounds with defined geometry
-
M. Nowak, M. Kołaczkowski, M. Pawłowski, and A.J. Bojarski Homology modeling of the serotonin 5-HT1A receptor using automated docking of bioactive compounds with defined geometry J. Med. Chem. 49 2006 205 214 10.1021/jm050826h
-
(2006)
J. Med. Chem.
, vol.49
, pp. 205-214
-
-
Nowak, M.1
Kołaczkowski, M.2
Pawłowski, M.3
Bojarski, A.J.4
-
54
-
-
50149092020
-
The role of 5-HT(1A) receptors in learning and memory
-
S.O. Ogren, T.M. Eriksson, E. Elvander-Tottie, C. D'Addario, J.C. Ekström, P. Svenningsson, B. Meister, J. Kehr, and O. Stiedl The role of 5-HT(1A) receptors in learning and memory Behav. Brain. Res. 16 2008 54 77 10.1016/j.bbr.2008.02.023
-
(2008)
Behav. Brain. Res.
, vol.16
, pp. 54-77
-
-
Ogren, S.O.1
Eriksson, T.M.2
Elvander-Tottie, E.3
D'Addario, C.4
Ekström, J.C.5
Svenningsson, P.6
Meister, B.7
Kehr, J.8
Stiedl, O.9
-
55
-
-
0027369154
-
Pharmacological profile of AD-5423, a novel antipsychotic with both potent dopamine-D2 and serotonin-S2 antagonist properties
-
M. Oka, Y. Noda, Y. Ochi, K. Furukawa, T. Une, S. Kurumiya, K. Hino, and T. Karasawa Pharmacological profile of AD-5423, a novel antipsychotic with both potent dopamine-D2 and serotonin-S2 antagonist properties J. Pharmacol. Exp. Ther. 264 1993 158 165
-
(1993)
J. Pharmacol. Exp. Ther.
, vol.264
, pp. 158-165
-
-
Oka, M.1
Noda, Y.2
Ochi, Y.3
Furukawa, K.4
Une, T.5
Kurumiya, S.6
Hino, K.7
Karasawa, T.8
-
56
-
-
78650079075
-
Molecular modeling of the human serotonin (1A) receptor: Role of membrane cholesterol in ligand binding of the receptor
-
Y.D. Paila, S. Tiwari, D. Sengupta, and A. Chattopadhyay Molecular modeling of the human serotonin (1A) receptor: role of membrane cholesterol in ligand binding of the receptor Mol. Biosyst. 7 2011 224 234 10.1039/c0mb00148a
-
(2011)
Mol. Biosyst.
, vol.7
, pp. 224-234
-
-
Paila, Y.D.1
Tiwari, S.2
Sengupta, D.3
Chattopadhyay, A.4
-
58
-
-
66249144426
-
The structure and function of G-protein-coupled receptors
-
D.M. Rosenbaum, S.G.F. Rasmussen, and B.K. Kobilka The structure and function of G-protein-coupled receptors Nature 459 2009 356 363 10.1038/nature08144
-
(2009)
Nature
, vol.459
, pp. 356-363
-
-
Rosenbaum, D.M.1
Rasmussen, S.G.F.2
Kobilka, B.K.3
-
59
-
-
4644271084
-
Magic shotguns versus magic bullets: Selectively non-selective drugs for mood disorders and schizophrenia
-
B.L. Roth, D.J. Sheffler, and W.K. Kroeze Magic shotguns versus magic bullets: selectively non-selective drugs for mood disorders and schizophrenia Nat. Rev. Drug Discov. 3 2004 353 359 10.1038/nrd1346
-
(2004)
Nat. Rev. Drug Discov.
, vol.3
, pp. 353-359
-
-
Roth, B.L.1
Sheffler, D.J.2
Kroeze, W.K.3
-
60
-
-
0030042663
-
Amphetamine and negative symptoms of schizophrenia
-
M. Sanfilipo, A. Wolkin, B. Angrist, D.P. van Kammen, E. Duncan, S. Wieland, T.B. Cooper, E.D. Peselow, and J. Rotrosen Amphetamine and negative symptoms of schizophrenia Psychopharmacol. Berl. 123 1996 211 214
-
(1996)
Psychopharmacol. Berl.
, vol.123
, pp. 211-214
-
-
Sanfilipo, M.1
Wolkin, A.2
Angrist, B.3
Van Kammen, D.P.4
Duncan, E.5
Wieland, S.6
Cooper, T.B.7
Peselow, E.D.8
Rotrosen, J.9
-
61
-
-
74549202822
-
A novel multilevel statistical method for the study of the relationships between multireceptorial binding affinity profiles and in vivo endpoints
-
J. Selent, A. Bauer-Mehren, L. López, M.I. Loza, F. Sanz, and M. Pastor A novel multilevel statistical method for the study of the relationships between multireceptorial binding affinity profiles and in vivo endpoints Mol. Pharmacol. 77 2010 149 158 10.1124/mol.109.060103
-
(2010)
Mol. Pharmacol.
, vol.77
, pp. 149-158
-
-
Selent, J.1
Bauer-Mehren, A.2
López, L.3
Loza, M.I.4
Sanz, F.5
Pastor, M.6
-
62
-
-
33749578940
-
Statistical potential for assessment and prediction of protein structures
-
M.-Y. Shen, and A. Sali Statistical potential for assessment and prediction of protein structures Protein Sci. Publ. Protein Soc. 15 2006 2507 2524 10.1110/ps.062416606
-
(2006)
Protein Sci. Publ. Protein Soc.
, vol.15
, pp. 2507-2524
-
-
Shen, M.-Y.1
Sali, A.2
-
63
-
-
84860513814
-
Structure-based drug screening for G-protein-coupled receptors
-
B.K. Shoichet, and B.K. Kobilka Structure-based drug screening for G-protein-coupled receptors Trends Pharmacol. Sci. 33 2012 268 272 10.1016/j.tips.2012.03.007
-
(2012)
Trends Pharmacol. Sci.
, vol.33
, pp. 268-272
-
-
Shoichet, B.K.1
Kobilka, B.K.2
-
64
-
-
84869011254
-
Schizophrenia in translation: Dissecting motivation in schizophrenia and rodents
-
E.H. Simpson, J.A. Waltz, C. Kellendonk, and P.D. Balsam Schizophrenia in translation: dissecting motivation in schizophrenia and rodents Schizophr. Bull. 38 2012 1111 1117 10.1093/schbul/sbs114
-
(2012)
Schizophr. Bull.
, vol.38
, pp. 1111-1117
-
-
Simpson, E.H.1
Waltz, J.A.2
Kellendonk, C.3
Balsam, P.D.4
-
65
-
-
84966683561
-
-
Small-Molecule Drug Discovery Suite 2015-2 Glide, Version 6.7, Schrödinger 2015 LLC New York, NY
-
Small-Molecule Drug Discovery Suite 2015-2 Glide, Version 6.7, Schrödinger 2015 LLC New York, NY
-
-
-
-
66
-
-
0025179967
-
Molecular cloning and characterization of a novel dopamine receptor (D3) as a target for neuroleptics
-
P. Sokoloff, B. Giros, M.P. Martres, M.L. Bouthenet, and J.C. Schwartz Molecular cloning and characterization of a novel dopamine receptor (D3) as a target for neuroleptics Nature 347 1990 146 151
-
(1990)
Nature
, vol.347
, pp. 146-151
-
-
Sokoloff, P.1
Giros, B.2
Martres, M.P.3
Bouthenet, M.L.4
Schwartz, J.C.5
-
67
-
-
84966548435
-
-
Spartan v. 10 2015 www.wavefunction.com
-
Spartan v. 10 2015 www.wavefunction.com
-
-
-
-
68
-
-
84886286165
-
Neural basis for the ability of atypical antipsychotic drugs to improve cognition in schizophrenia
-
T. Sumiyoshi, Y. Higuchi, and T. Uehara Neural basis for the ability of atypical antipsychotic drugs to improve cognition in schizophrenia Front. Behav. Neurosci. 16 2013 140 10.3389/fnbeh.2013.00140
-
(2013)
Front. Behav. Neurosci.
, vol.16
, pp. 140
-
-
Sumiyoshi, T.1
Higuchi, Y.2
Uehara, T.3
-
69
-
-
34548189417
-
Effect of buspirone, a serotonin1A partial agonist, on cognitive function in schizophrenia: A randomized, double-blind, placebo-controlled study
-
T. Sumiyoshi, S. Park, K. Jayathilake, A. Roy, A. Ertugrul, and H.Y. Meltzer Effect of buspirone, a serotonin1A partial agonist, on cognitive function in schizophrenia: a randomized, double-blind, placebo-controlled study Schizophr. Res. 95 2007 158 168
-
(2007)
Schizophr. Res.
, vol.95
, pp. 158-168
-
-
Sumiyoshi, T.1
Park, S.2
Jayathilake, K.3
Roy, A.4
Ertugrul, A.5
Meltzer, H.Y.6
-
70
-
-
84884607762
-
Novel approaches to drug design for the treatment of schizophrenia
-
A. Taly Novel approaches to drug design for the treatment of schizophrenia Expert Opin. Drug Discov. 8 2013 1285 1296 10.1517/17460441.2013.821108
-
(2013)
Expert Opin. Drug Discov.
, vol.8
, pp. 1285-1296
-
-
Taly, A.1
-
71
-
-
84858164791
-
Action of molecular switches in GPCRs - Theoretical and experimental studies
-
B. Trzaskowski, D. Latek, S. Yuan, U. Ghoshdastider, A. Debinski, and S. Filipek Action of molecular switches in GPCRs - theoretical and experimental studies Curr. Med. Chem. 19 2012 1090 1109 10.2174/092986712799320556
-
(2012)
Curr. Med. Chem.
, vol.19
, pp. 1090-1109
-
-
Trzaskowski, B.1
Latek, D.2
Yuan, S.3
Ghoshdastider, U.4
Debinski, A.5
Filipek, S.6
-
72
-
-
79951972094
-
Histidine 6.55 is a major determinant of ligand-biased signaling in dopamine D2L receptor
-
N. Tschammer, S. Bollinger, T. Kenakin, and P. Gmeiner Histidine 6.55 is a major determinant of ligand-biased signaling in dopamine D2L receptor Mol. Pharmacol. 79 2011 575 585 10.1124/mol.110.068106
-
(2011)
Mol. Pharmacol.
, vol.79
, pp. 575-585
-
-
Tschammer, N.1
Bollinger, S.2
Kenakin, T.3
Gmeiner, P.4
-
73
-
-
0022647809
-
Benzodiazepine impairs and beta-carboline enhances performance in learning and memory tasks
-
P. Venault, G. Chapouthier, L.P. de Carvalho, J. Simiand, M. Morre, R.H. Dodd, and J. Rossier Benzodiazepine impairs and beta-carboline enhances performance in learning and memory tasks Nature 321 1986 864 866 10.1038/321864a0
-
(1986)
Nature
, vol.321
, pp. 864-866
-
-
Venault, P.1
Chapouthier, G.2
De Carvalho, L.P.3
Simiand, J.4
Morre, M.5
Dodd, R.H.6
Rossier, J.7
-
74
-
-
77955779227
-
Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography
-
D. Wacker, G. Fenalti, M.A. Brown, V. Katritch, R. Abagyan, V. Cherezov, and R.C. Stevens Conserved binding mode of human beta2 adrenergic receptor inverse agonists and antagonist revealed by X-ray crystallography J. Am. Chem. Soc. 132 2010 11443 11445 10.1021/ja105108q
-
(2010)
J. Am. Chem. Soc.
, vol.132
, pp. 11443-11445
-
-
Wacker, D.1
Fenalti, G.2
Brown, M.A.3
Katritch, V.4
Abagyan, R.5
Cherezov, V.6
Stevens, R.C.7
-
75
-
-
0025648214
-
Remoxipride. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in schizophrenia
-
A.N. Wadworth, and R.C. Heel Remoxipride. A review of its pharmacodynamic and pharmacokinetic properties, and therapeutic potential in schizophrenia Drugs 40 1990 863 879
-
(1990)
Drugs
, vol.40
, pp. 863-879
-
-
Wadworth, A.N.1
Heel, R.C.2
-
76
-
-
33746654477
-
Cortical 5-HT2A receptor signaling modulates anxiety-like behaviors in mice
-
N.V. Weisstaub, M. Zhou, A. Lira, E. Lambe, J. González-Maeso, J.P. Hornung, E. Sibille, M. Underwood, S. Itohara, W.T. Dauer, M.S. Ansorge, E. Morelli, J.J. Mann, M. Toth, G. Aghajanian, S.C. Sealfon, R. Hen, and J.A. Gingrich Cortical 5-HT2A receptor signaling modulates anxiety-like behaviors in mice Science 313 2006 536 540
-
(2006)
Science
, vol.313
, pp. 536-540
-
-
Weisstaub, N.V.1
Zhou, M.2
Lira, A.3
Lambe, E.4
González-Maeso, J.5
Hornung, J.P.6
Sibille, E.7
Underwood, M.8
Itohara, S.9
Dauer, W.T.10
Ansorge, M.S.11
Morelli, E.12
Mann, J.J.13
Toth, M.14
Aghajanian, G.15
Sealfon, S.C.16
Hen, R.17
Gingrich, J.A.18
-
77
-
-
0036213787
-
The anxiolytic effect of the novel antipsychotic ziprasidone compared with diazepam in subjects anxious before dental surgery
-
K.D. Wilner, R.J. Anziano, A.C. Johnson, J.J. Miceli, J.R. Fricke, and C.K. Titus The anxiolytic effect of the novel antipsychotic ziprasidone compared with diazepam in subjects anxious before dental surgery J. Clin. Psychopharmacol. 22 2002 206 210
-
(2002)
J. Clin. Psychopharmacol.
, vol.22
, pp. 206-210
-
-
Wilner, K.D.1
Anziano, R.J.2
Johnson, A.C.3
Miceli, J.J.4
Fricke, J.R.5
Titus, C.K.6
-
78
-
-
0028180615
-
Structural studies on D2 dopamine receptors: Mutation of a histidine residue specifically affects the binding of a subgroup of substituted benzamide drugs
-
R. Woodward, S.J. Daniell, P.G. Strange, and L.H. Naylor Structural studies on D2 dopamine receptors: mutation of a histidine residue specifically affects the binding of a subgroup of substituted benzamide drugs J. Neurochem. 62 1994 1664 1669
-
(1994)
J. Neurochem.
, vol.62
, pp. 1664-1669
-
-
Woodward, R.1
Daniell, S.J.2
Strange, P.G.3
Naylor, L.H.4
-
79
-
-
84879224111
-
Induced fit docking, and the use of QM/MM methods in docking
-
M. Xu, and M.A. Lill Induced fit docking, and the use of QM/MM methods in docking Drug Discov. Today Technol. 10 2013 e411 418 10.1016/j.ddtec.2013.02.003
-
(2013)
Drug Discov. Today Technol.
, vol.10
, pp. e411-418
-
-
Xu, M.1
Lill, M.A.2
-
80
-
-
84864722279
-
Homology modeling of the human 5-HT1A, 5-HT 2A, D1, and D2 receptors: Model refinement with molecular dynamics simulations and docking evaluation
-
B.K. Yap, M.J.C. Buckle, and S.W. Doughty Homology modeling of the human 5-HT1A, 5-HT 2A, D1, and D2 receptors: model refinement with molecular dynamics simulations and docking evaluation J. Mol. Model. 18 2012 3639 3655 10.1007/s00894-012-1368-5
-
(2012)
J. Mol. Model.
, vol.18
, pp. 3639-3655
-
-
Yap, B.K.1
Buckle, M.J.C.2
Doughty, S.W.3
|