-
1
-
-
84860530005
-
Molecular docking of opiates and opioid peptides, a tool for the design of selective agonists and antagonists, and for the investigation of atypical ligand-receptor interactions
-
Gentilucci, L.; Tolomelli, A.; De Marco, R.; Artali, R. Molecular docking of opiates and opioid peptides, a tool for the design of selective agonists and antagonists, and for the investigation of atypical ligand-receptor interactions Curr. Med. Chem. 2012, 19, 1587-1601
-
(2012)
Curr. Med. Chem.
, vol.19
, pp. 1587-1601
-
-
Gentilucci, L.1
Tolomelli, A.2
De Marco, R.3
Artali, R.4
-
2
-
-
0034000876
-
Novel ligands lacking a positive charge for the δ- And μ-opioid receptors
-
Schiller, P. W.; Berezowska, I.; Nguyen, T. M. D.; Schmidt, R.; Lemieux, C.; Chung, N. N.; Falcone-Hindley, M. L.; Yao, W.; Liu, J.; Iwama, S.; Smith, A. B.; Hirschmann, R. F. Novel ligands lacking a positive charge for the δ- and μ-opioid receptors J. Med. Chem. 2000, 43, 551-559
-
(2000)
J. Med. Chem.
, vol.43
, pp. 551-559
-
-
Schiller, P.W.1
Berezowska, I.2
Nguyen, T.M.D.3
Schmidt, R.4
Lemieux, C.5
Chung, N.N.6
Falcone-Hindley, M.L.7
Yao, W.8
Liu, J.9
Iwama, S.10
Smith, A.B.11
Hirschmann, R.F.12
-
3
-
-
0035855594
-
2 analogues lacking an N-terminal amino group: Potent and selective κ-opioid antagonists
-
2 analogues lacking an N-terminal amino group: potent and selective κ-opioid antagonists J. Med. Chem. 2001, 44, 3048-3053
-
(2001)
J. Med. Chem.
, vol.44
, pp. 3048-3053
-
-
Lu, Y.1
Nguyen, T.M.D.2
Weltrowska, G.3
Berezowska, I.4
Lemieux, C.5
Chung, N.N.6
Schiller, P.W.7
-
4
-
-
0037835959
-
Conversion of δ-, κ-, and μ-receptor selective opioid peptide agonists into δ-, κ- And μ-selective antagonists
-
Schiller, P. W.; Weltrowska, G.; Nguyen, T. M. D.; Lemieux, C.; Chung, N. N.; Lu, Y. Conversion of δ-, κ-, and μ-receptor selective opioid peptide agonists into δ-, κ- and μ-selective antagonists Life Sci. 2003, 73, 691-698
-
(2003)
Life Sci.
, vol.73
, pp. 691-698
-
-
Schiller, P.W.1
Weltrowska, G.2
Nguyen, T.M.D.3
Lemieux, C.4
Chung, N.N.5
Lu, Y.6
-
5
-
-
8544264592
-
A novel cyclic enkephalin analogue with potent opioid antagonist activity
-
Weltrowska, G.; Lu, Y.; Lemieux, C.; Chung, N. N.; Schiller, P. W. A novel cyclic enkephalin analogue with potent opioid antagonist activity Bioorg. Med. Chem. Lett. 2004, 14, 4731-4733
-
(2004)
Bioorg. Med. Chem. Lett.
, vol.14
, pp. 4731-4733
-
-
Weltrowska, G.1
Lu, Y.2
Lemieux, C.3
Chung, N.N.4
Schiller, P.W.5
-
6
-
-
0033523062
-
Asp147 in the third transmembrane helix of the rat μ opioid receptor forms ion pairing with morphine and naltrexone
-
Li, J. G.; Chen, C.; Yin, J.; Rice, K.; Zhang, Y.; Matecka, D.; de Riel, J. K.; Des Jarlais, R. L.; Liu-Chen, L. Y. Asp147 in the third transmembrane helix of the rat μ opioid receptor forms ion pairing with morphine and naltrexone Life Sci. 1999, 65, 175-185
-
(1999)
Life Sci.
, vol.65
, pp. 175-185
-
-
Li, J.G.1
Chen, C.2
Yin, J.3
Rice, K.4
Zhang, Y.5
Matecka, D.6
De Riel, J.K.7
Des Jarlais, R.L.8
Liu-Chen, L.Y.9
-
7
-
-
0037431419
-
A novel N-terminal cyclic dynorphin A analogue cyclo(N,5)[Trp(3),Trp(4), Glu(5)] dynorphin A-(1-11)NH(2) that lacks the basic N-terminus
-
Vig, B. S.; Murray, T. F.; Aldrich, J. V. A novel N-terminal cyclic dynorphin A analogue cyclo(N,5)[Trp(3),Trp(4),Glu(5)] dynorphin A-(1-11)NH(2) that lacks the basic N-terminus J. Med. Chem. 2003, 46, 1279-1282
-
(2003)
J. Med. Chem.
, vol.46
, pp. 1279-1282
-
-
Vig, B.S.1
Murray, T.F.2
Aldrich, J.V.3
-
8
-
-
13344267870
-
Salvinorin, a new trans -neoclerodane diterpene from Salvia divinorum (Labiatae)
-
Ortega, A.; Blount, J. F.; Manchand, P. S. Salvinorin, a new trans -neoclerodane diterpene from Salvia divinorum (Labiatae) J. Chem. Soc., Perkins Trans. 1 1982, 2505-2508
-
(1982)
J. Chem. Soc., Perkins Trans. 1
, pp. 2505-2508
-
-
Ortega, A.1
Blount, J.F.2
Manchand, P.S.3
-
9
-
-
41149143712
-
Toward a structure-based model of salvinorin A recognition of the K-opioid receptor
-
Kane, B. E.; McCurdy, C. R.; Ferguson, D. M. Toward a structure-based model of salvinorin A recognition of the K-opioid receptor J. Med. Chem. 2008, 51, 1824-1830
-
(2008)
J. Med. Chem.
, vol.51
, pp. 1824-1830
-
-
Kane, B.E.1
McCurdy, C.R.2
Ferguson, D.M.3
-
10
-
-
67651204566
-
Structure-based design, synthesis, and biochemical and pharmacological characterization of novel Salvinorin A analogues as active state probes of the k-opioid receptor
-
Yan, F.; Bikbulatov, R. V.; Mocanu, V.; Dicheva, N.; Parker, C. E.; Wetsel, W. C.; Mosier, P. D.; Westkaemper, R. B.; Allen, J. A.; Zjawiony, J. K.; Roth, B. L. Structure-based design, synthesis, and biochemical and pharmacological characterization of novel Salvinorin A analogues as active state probes of the k-opioid receptor Biochemistry 2009, 48, 6898-6908
-
(2009)
Biochemistry
, vol.48
, pp. 6898-6908
-
-
Yan, F.1
Bikbulatov, R.V.2
Mocanu, V.3
Dicheva, N.4
Parker, C.E.5
Wetsel, W.C.6
Mosier, P.D.7
Westkaemper, R.B.8
Allen, J.A.9
Zjawiony, J.K.10
Roth, B.L.11
-
11
-
-
0037187386
-
Design, synthesis, and evaluation of opioid analogues with non-peptidic β-turn scaffold: Enkephalin and endomorphin mimetics
-
Eguchi, M.; Shen, R. Y.; Shea, J. P.; Lee, M. S.; Kahn, M. Design, synthesis, and evaluation of opioid analogues with non-peptidic β-turn scaffold: enkephalin and endomorphin mimetics J. Med. Chem. 2002, 45, 1395-1398
-
(2002)
J. Med. Chem.
, vol.45
, pp. 1395-1398
-
-
Eguchi, M.1
Shen, R.Y.2
Shea, J.P.3
Lee, M.S.4
Kahn, M.5
-
12
-
-
0030933655
-
A potent and selective endogenous agonist for the μ-opiate receptor
-
Zadina, J. E.; Hackler, L.; Ge, L.-J.; Kastin, A. J. A potent and selective endogenous agonist for the μ-opiate receptor Nature 1997, 386, 499-502
-
(1997)
Nature
, vol.386
, pp. 499-502
-
-
Zadina, J.E.1
Hackler, L.2
Ge, L.-J.3
Kastin, A.J.4
-
13
-
-
4744353375
-
Synthesis and evaluation of the affinity toward μ-opioid receptors of atypical, lipophilic ligands based on the sequence c[-Tyr-Pro-Trp-Phe-Gly-]
-
Cardillo, G.; Gentilucci, L.; Tolomelli, A.; Spinosa, R.; Calienni, M.; Qasem, A. R.; Spampinato, S. Synthesis and evaluation of the affinity toward μ-opioid receptors of atypical, lipophilic ligands based on the sequence c[-Tyr-Pro-Trp-Phe-Gly-] J. Med. Chem. 2004, 47, 5198-5203
-
(2004)
J. Med. Chem.
, vol.47
, pp. 5198-5203
-
-
Cardillo, G.1
Gentilucci, L.2
Tolomelli, A.3
Spinosa, R.4
Calienni, M.5
Qasem, A.R.6
Spampinato, S.7
-
14
-
-
80052101330
-
The inverse type II β-turn on D-Trp-Phe, a pharmacophoric motif for MOR agonists
-
Gentilucci, L.; Tolomelli, A.; De Marco, R.; Spampinato, S.; Bedini, A.; Artali, R. The inverse type II β-turn on D-Trp-Phe, a pharmacophoric motif for MOR agonists ChemMedChem 2011, 6, 1640-1653
-
(2011)
ChemMedChem
, vol.6
, pp. 1640-1653
-
-
Gentilucci, L.1
Tolomelli, A.2
De Marco, R.3
Spampinato, S.4
Bedini, A.5
Artali, R.6
-
15
-
-
70349106893
-
Cyclic opioid peptide agonists and antagonists obtained via ring-closing metathesis
-
Berezowska, I.; Lemieux, C.; Chung, N. N.; Wilkes, B. C.; Schiller, P. W. Cyclic opioid peptide agonists and antagonists obtained via ring-closing metathesis Chem. Biol. Drug Des. 2009, 74, 329-334
-
(2009)
Chem. Biol. Drug Des.
, vol.74
, pp. 329-334
-
-
Berezowska, I.1
Lemieux, C.2
Chung, N.N.3
Wilkes, B.C.4
Schiller, P.W.5
-
16
-
-
77950584650
-
"Carba"-analogues of fentanyl are opioid receptor agonists
-
Weltrowska, G.; Chung, N. N.; Lemieux, C.; Guo, J.; Lu, Y.; Wilkes, B. C.; Schiller, P. W. "Carba"-analogues of fentanyl are opioid receptor agonists J. Med. Chem. 2010, 53, 2875-2881
-
(2010)
J. Med. Chem.
, vol.53
, pp. 2875-2881
-
-
Weltrowska, G.1
Chung, N.N.2
Lemieux, C.3
Guo, J.4
Lu, Y.5
Wilkes, B.C.6
Schiller, P.W.7
-
17
-
-
0036807205
-
The tryptophan isomers of the cyclic tetrapeptide CJ-15,208, reported to be a kappa opioid receptor (KOR) antagonist
-
Saito, T.; Hirai, H.; Kim, Y. J.; Kojima, Y.; Matsunaga, Y.; Nishida, H.; Sakakibara, T.; Suga, O.; Sujaku, T.; Kojima, N. The tryptophan isomers of the cyclic tetrapeptide CJ-15,208, reported to be a kappa opioid receptor (KOR) antagonist J. Antibiot. 2002, 55, 847-854
-
(2002)
J. Antibiot.
, vol.55
, pp. 847-854
-
-
Saito, T.1
Hirai, H.2
Kim, Y.J.3
Kojima, Y.4
Matsunaga, Y.5
Nishida, H.6
Sakakibara, T.7
Suga, O.8
Sujaku, T.9
Kojima, N.10
-
18
-
-
66349112225
-
Nascent structure-activity relationship study of a diastereomeric series of kappa opioid receptor antagonists derived from CJ-15,208
-
Dolle, R. E.; Michaut, M.; Martinez-Teipel, B.; Seida, P. R.; Ajello, C. W.; Muller, A. L.; De Haven, R. N.; Carroll, P. J. Nascent structure-activity relationship study of a diastereomeric series of kappa opioid receptor antagonists derived from CJ-15,208 Bioorg. Med. Chem. Lett. 2009, 19, 3647-3650
-
(2009)
Bioorg. Med. Chem. Lett.
, vol.19
, pp. 3647-3650
-
-
Dolle, R.E.1
Michaut, M.2
Martinez-Teipel, B.3
Seida, P.R.4
Ajello, C.W.5
Muller, A.L.6
De Haven, R.N.7
Carroll, P.J.8
-
19
-
-
80052084062
-
Unexpected opioid activity profiles of analogues of the novel peptide kappa opioid receptor ligand CJ-15,208
-
Aldrich, J. V.; Kulkarni, S. S.; Senadheera, S. N.; Ross, N. C.; Reilley, K. J.; Eans, S. O.; Ganno, M. L.; Murray, T. F.; McLaughlin, J. P. Unexpected opioid activity profiles of analogues of the novel peptide kappa opioid receptor ligand CJ-15,208 ChemMedChem 2011, 6, 1739-1745
-
(2011)
ChemMedChem
, vol.6
, pp. 1739-1745
-
-
Aldrich, J.V.1
Kulkarni, S.S.2
Senadheera, S.N.3
Ross, N.C.4
Reilley, K.J.5
Eans, S.O.6
Ganno, M.L.7
Murray, T.F.8
McLaughlin, J.P.9
-
20
-
-
0032837591
-
The effects of endomorphin-1 and endomorphin-2 in CHO cells expressing recombinant μ-opioid receptors and SH-SY5Y cells
-
Harrison, C.; McNulty, S.; Smart, D.; Rowbotham, D. J.; Grandy, D. K.; Devi, L. A.; Lambert, D. G. The effects of endomorphin-1 and endomorphin-2 in CHO cells expressing recombinant μ-opioid receptors and SH-SY5Y cells Br. J. Pharmacol. 1999, 128, 472-478
-
(1999)
Br. J. Pharmacol.
, vol.128
, pp. 472-478
-
-
Harrison, C.1
McNulty, S.2
Smart, D.3
Rowbotham, D.J.4
Grandy, D.K.5
Devi, L.A.6
Lambert, D.G.7
-
21
-
-
0036667722
-
Affinities of dihydrocodeine and its metabolites to opioid receptors
-
Schmidt, H.; Vormfelde, S.; Klinder, K.; Gundert-Remy, U.; Gleiter, C. H.; Skopp, G.; Aderjan, R.; Fuhr, U. Affinities of dihydrocodeine and its metabolites to opioid receptors Pharmacol. Toxicol. 2002, 91, 57-63
-
(2002)
Pharmacol. Toxicol.
, vol.91
, pp. 57-63
-
-
Schmidt, H.1
Vormfelde, S.2
Klinder, K.3
Gundert-Remy, U.4
Gleiter, C.H.5
Skopp, G.6
Aderjan, R.7
Fuhr, U.8
-
22
-
-
0023931336
-
U50,488: A kappa-selective agent with poor affinity for mu1 opiate binding sites
-
Clark, J. A.; Pasternak, G. W. U50,488: a kappa-selective agent with poor affinity for mu1 opiate binding sites Neuropharmacology 1988, 27, 331-332
-
(1988)
Neuropharmacology
, vol.27
, pp. 331-332
-
-
Clark, J.A.1
Pasternak, G.W.2
-
23
-
-
0031045077
-
Opioid diketopiperazines: Synthesis and activity of a prototypic class of opioid antagonists
-
Balboni, G.; Guerrini, R.; Salvadori, S.; Tomatis, R.; Bryant, S. D.; Bianchi, C.; Attila, M.; Lazarus, L. H. Opioid diketopiperazines: synthesis and activity of a prototypic class of opioid antagonists Biol. Chem. 1997, 378, 19-29
-
(1997)
Biol. Chem.
, vol.378
, pp. 19-29
-
-
Balboni, G.1
Guerrini, R.2
Salvadori, S.3
Tomatis, R.4
Bryant, S.D.5
Bianchi, C.6
Attila, M.7
Lazarus, L.H.8
-
24
-
-
0031594351
-
35S]GTPgammaS binding in rat brain: Evidence for partial agonist activity at μ-opioid receptors
-
35S]GTPgammaS binding in rat brain: evidence for partial agonist activity at μ-opioid receptors J. Neurochem. 1998, 70, 1567-1576
-
(1998)
J. Neurochem.
, vol.70
, pp. 1567-1576
-
-
Sim, L.J.1
Liu, Q.2
Childers, S.R.3
Selley, D.E.4
-
25
-
-
33747283710
-
Partial and full agonism in endomorphin derivatives: Comparison by null and operational models
-
Rónai, A. Z.; Al-Khrasani, M.; Benyhe, S.; Lengyel, I.; Kocsis, L.; Orosz, G.; Tóth, G.; Kató, E.; Tóthfalusi, L. Partial and full agonism in endomorphin derivatives: comparison by null and operational models Peptides 2006, 27, 1507-1513
-
(2006)
Peptides
, vol.27
, pp. 1507-1513
-
-
Rónai, A.Z.1
Al-Khrasani, M.2
Benyhe, S.3
Lengyel, I.4
Kocsis, L.5
Orosz, G.6
Tóth, G.7
Kató, E.8
Tóthfalusi, L.9
-
26
-
-
0032578605
-
In vitro binding and signaling profile of the novel μ-opioid receptor agonist endomorphin-2 in rat brain membranes
-
Spetea, M.; Monory, K.; Tçmbçly, C.; Tóth, G.; Tzavara, E.; Benyhe, S.; Hanoune, J.; Borsodi, A. In vitro binding and signaling profile of the novel μ-opioid receptor agonist endomorphin-2 in rat brain membranes Biochem. Biophys. Res. Commun. 1998, 250, 720-725
-
(1998)
Biochem. Biophys. Res. Commun.
, vol.250
, pp. 720-725
-
-
Spetea, M.1
Monory, K.2
Tçmbçly, C.3
Tóth, G.4
Tzavara, E.5
Benyhe, S.6
Hanoune, J.7
Borsodi, A.8
-
27
-
-
0026848961
-
Conformational analysis of an opioid peptide in solvent media that mimic cytoplasm viscosity
-
Temussi, P. A.; Picone, D.; Saviano, G.; Amodeo, P.; Motta, A.; Tancredi, T.; Salvadori, S.; Tomatis, R. Conformational analysis of an opioid peptide in solvent media that mimic cytoplasm viscosity Biopolymers 1992, 32, 367-372
-
(1992)
Biopolymers
, vol.32
, pp. 367-372
-
-
Temussi, P.A.1
Picone, D.2
Saviano, G.3
Amodeo, P.4
Motta, A.5
Tancredi, T.6
Salvadori, S.7
Tomatis, R.8
-
28
-
-
74649085205
-
Structural comparison of mu-opioid receptor selective peptides confirmed four parameters of bioactivity
-
Borics, A.; Tóth, G. Structural comparison of mu-opioid receptor selective peptides confirmed four parameters of bioactivity J. Mol. Graph. Modell. 2010, 28, 495-505
-
(2010)
J. Mol. Graph. Modell.
, vol.28
, pp. 495-505
-
-
Borics, A.1
Tóth, G.2
-
29
-
-
0001511875
-
2: Spectroscopic evidence for a peptide with significant β-turn character in water and in dimethyl sulfoxide
-
2: spectroscopic evidence for a peptide with significant β-turn character in water and in dimethyl sulfoxide J. Am. Chem. Soc. 1992, 114, 3182-3188
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 3182-3188
-
-
Imperiali, B.1
Fisher, S.L.2
Moats, R.A.3
Prim, T.J.4
-
30
-
-
84860365657
-
-
release 8.0.3; Hypercube Inc. Gainesville, FL.
-
HyperChem, release 8.0.3; Hypercube Inc.: Gainesville, FL, 2007.
-
(2007)
HyperChem
-
-
-
31
-
-
0004016501
-
Comparison of simple potential functions for simulating liquid water
-
Jorgensen, W. L.; Chandrasekhar, J.; Madura, J.; Impey, R. W.; Klein, M. L. Comparison of simple potential functions for simulating liquid water J. Chem. Phys. 1983, 79, 926-935
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926-935
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.3
Impey, R.W.4
Klein, M.L.5
-
32
-
-
0029011701
-
A second generation force field for the simulation of proteins, nucleic acids, and organic molecoles
-
Cornell, W. D.; Cieplak, P.; Bayly, C. I.; Gould, I. R.; Merz, K. M.; Ferguson, D. M.; Spellmeyer, D. C.; Fox, T.; Caldwell, J. W.; Kollman, P. A. A second generation force field for the simulation of proteins, nucleic acids, and organic molecoles J. Am. Chem. Soc. 1995, 117, 5179-5197
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 5179-5197
-
-
Cornell, W.D.1
Cieplak, P.2
Bayly, C.I.3
Gould, I.R.4
Merz, K.M.5
Ferguson, D.M.6
Spellmeyer, D.C.7
Fox, T.8
Caldwell, J.W.9
Kollman, P.A.10
-
33
-
-
77957830877
-
Peripheral antinociceptive effects of the cyclic endomorphin-1 analog c[YpwFG] in a mouse visceral pain model
-
Bedini, A.; Baiula, M.; Gentilucci, L.; Tolomelli, A.; De Marco, R.; Spampinato, S. Peripheral antinociceptive effects of the cyclic endomorphin-1 analog c[YpwFG] in a mouse visceral pain model Peptides 2010, 31, 2135-2140
-
(2010)
Peptides
, vol.31
, pp. 2135-2140
-
-
Bedini, A.1
Baiula, M.2
Gentilucci, L.3
Tolomelli, A.4
De Marco, R.5
Spampinato, S.6
-
34
-
-
0015861774
-
Relationship between the inhibition constant (Ki) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction
-
Cheng, Y.; Prusoff, W. H. Relationship between the inhibition constant (Ki) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction Biochem. Pharmacol. 1973, 22, 3099-3108
-
(1973)
Biochem. Pharmacol.
, vol.22
, pp. 3099-3108
-
-
Cheng, Y.1
Prusoff, W.H.2
-
35
-
-
33750587438
-
Molecular dynamics with coupling to an external bath
-
Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Di Nola, A.; Haak, J. R. Molecular dynamics with coupling to an external bath J. Chem. Phys. 1984, 81, 3684-3690
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3684-3690
-
-
Berendsen, H.J.C.1
Postma, J.P.M.2
Van Gunsteren, W.F.3
Di Nola, A.4
Haak, J.R.5
|