-
1
-
-
84875424144
-
Piperazine and piperidine triazole ureas as ultrapotent and highly selective inhibitors of monoacylglycerol lipase
-
Aaltonen N, Savinainen JR, Ribas CR, Rönkkö J, Kuusisto A, Korhonen J, Navia-Paldanius D, Häyrinen J, Takabe P, and Käsnänen H et al. (2013) Piperazine and piperidine triazole ureas as ultrapotent and highly selective inhibitors of monoacylglycerol lipase. Chem Biol 20:379-390.
-
(2013)
Chem Biol
, vol.20
, pp. 379-390
-
-
Aaltonen, N.1
Savinainen, J.R.2
Ribas, C.R.3
Rönkkö, J.4
Kuusisto, A.5
Korhonen, J.6
Navia-Paldanius, D.7
Häyrinen, J.8
Takabe, P.9
Käsnänen, H.10
-
2
-
-
77949323813
-
Structural basis for human monoglyceride lipase inhibition
-
Bertrand T, Augé F, Houtmann J, Rak A, Vallée F, Mikol V, Berne PF, Michot N, Cheuret D, and Hoornaert C et al. (2010) Structural basis for human monoglyceride lipase inhibition. J Mol Biol 396:663-673.
-
(2010)
J Mol Biol
, vol.396
, pp. 663-673
-
-
Bertrand, T.1
Augé, F.2
Houtmann, J.3
Rak, A.4
Vallée, F.5
Mikol, V.6
Berne, P.F.7
Michot, N.8
Cheuret, D.9
Hoornaert, C.10
-
3
-
-
37149013708
-
A comprehensive profile of brain enzymes that hydrolyze the endocannabinoid 2-arachidonoylglycerol
-
Blankman JL, Simon GM, and Cravatt BF (2007) A comprehensive profile of brain enzymes that hydrolyze the endocannabinoid 2-arachidonoylglycerol. Chem Biol 14:1347-1356.
-
(2007)
Chem Biol
, vol.14
, pp. 1347-1356
-
-
Blankman, J.L.1
Simon, G.M.2
Cravatt, B.F.3
-
4
-
-
12444284942
-
-
University of California, San Francisco
-
Case DA, Darden TA, Cheatham III TE, Simmerling CL, Wang J, Duke RE, Luo R, Walker RC, Zhang W, Merz KM et al.(2012), Assisted Model Building with Energy Refinement (AMBER) 12, University of California, San Francisco.
-
(2012)
Assisted Model Building with Energy Refinement (AMBER)
, vol.12
-
-
Case, D.A.1
Darden, T.A.2
Cheatham III, T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Walker, R.C.8
Zhang, W.9
Merz, K.M.10
-
5
-
-
23444454552
-
The Amber biomolecular simulation programs
-
Case DA, Cheatham TE, 3rd, Darden T, Gohlke H, Luo R, Merz KM, Jr, Onufriev A, Jr, Simmerling C, Wang B, and Woods RJ (2005) The Amber biomolecular simulation programs. J Comput Chem 26:1668-1688.
-
(2005)
J Comput Chem
, vol.26
, pp. 1668-1688
-
-
Case, D.A.1
Cheatham III, T.E.2
Darden, T.3
Gohlke, H.4
Luo, R.5
Merz Jr., K.M.6
Onufriev Jr., A.7
Simmerling, C.8
Wang, B.9
Woods, R.J.10
-
6
-
-
20344403522
-
Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/ MM) approach
-
Cho AE, Guallar V, Berne BJ, and Friesner RA (2005) Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/ MM) approach. J Comput Chem 26:915-931.
-
(2005)
J Comput Chem
, vol.26
, pp. 915-931
-
-
Cho, A.E.1
Guallar, V.2
Berne, B.J.3
Friesner, R.A.4
-
7
-
-
50649112213
-
Activity-based protein profiling: From enzyme chemistry to proteomic chemistry
-
Cravatt BF, Wright AT, and Kozarich JW (2008) Activity-based protein profiling: From enzyme chemistry to proteomic chemistry. Annu Rev Biochem 77:383-414.
-
(2008)
Annu Rev Biochem
, vol.77
, pp. 383-414
-
-
Cravatt, B.F.1
Wright, A.T.2
Kozarich, J.W.3
-
8
-
-
33846823909
-
Particle mesh Ewald: An N×Log(N) method for Ewald sums in large systems
-
DOI: 10.1063/1.464397
-
Darden T, York D, and Pedersen L (1993) Particle mesh Ewald: An N×Log(N) method for Ewald sums in large systems. J Chem Phys 12:10089-10092 DOI: 10.1063/1.464397.
-
(1993)
J Chem Phys
, vol.12
, pp. 10089-10092
-
-
Darden, T.1
York, D.2
Pedersen, L.3
-
9
-
-
0037207088
-
A role for monoglyceride lipase in 2-arachidonoylglycerol inactivation
-
Dinh TP, Freund TF, and Piomelli D (2002) A role for monoglyceride lipase in 2-arachidonoylglycerol inactivation. Chem Phys Lipids 121:149-158.
-
(2002)
Chem Phys Lipids
, vol.121
, pp. 149-158
-
-
Dinh, T.P.1
Freund, T.F.2
Piomelli, D.3
-
10
-
-
33748518255
-
Comparison of multiple Amber force fields and development of improved protein backbone parameters
-
Hornak V, Abel R, Okur A, Strockbine B, Roitberg A, and Simmerling C (2006) Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins 65:712-725.
-
(2006)
Proteins
, vol.65
, pp. 712-725
-
-
Hornak, V.1
Abel, R.2
Okur, A.3
Strockbine, B.4
Roitberg, A.5
Simmerling, C.6
-
11
-
-
0001041959
-
Fast, efficient generation of highquality atomic charges. AM1-BCC model: I. Method
-
DOI: 10.1002/(SICI)1096-987X(20000130)21:2,132::AID-JCC5.3.0.CO;2-P
-
Jakalian A, Bush BL, Jack DB, and Bayly CI (2000) Fast, efficient generation of highquality atomic charges. AM1-BCC model: I. Method. J Comput Chem 21:132-146 DOI: 10.1002/(SICI)1096-987X(20000130)21:2,132::AID-JCC5.3.0. CO;2-P.
-
(2000)
J Comput Chem
, vol.21
, pp. 132-146
-
-
Jakalian, A.1
Bush, B.L.2
Jack, D.B.3
Bayly, C.I.4
-
12
-
-
77954568561
-
Identification by nuclear magnetic resonance spectroscopy of an active-site hydrogen-bond network in human monoacylglycerol lipase (hMGL): Implications for hMGL dynamics, pharmacological inhibition, and catalytic mechanism
-
Karageorgos I, Tyukhtenko S, Zvonok N, Janero DR, Sallum C, and Makriyannis A (2010) Identification by nuclear magnetic resonance spectroscopy of an active-site hydrogen-bond network in human monoacylglycerol lipase (hMGL): Implications for hMGL dynamics, pharmacological inhibition, and catalytic mechanism. Mol Biosyst 6:1381-1388.
-
(2010)
Mol Biosyst
, vol.6
, pp. 1381-1388
-
-
Karageorgos, I.1
Tyukhtenko, S.2
Zvonok, N.3
Janero, D.R.4
Sallum, C.5
Makriyannis, A.6
-
13
-
-
0030767295
-
CDNA cloning, tissue distribution, and identification of the catalytic triad of monoglyceride lipase. Evolutionary relationship to esterases, lysophospholipases, and haloperoxidases
-
Karlsson M, Contreras JA, Hellman U, Tornqvist H, and Holm C (1997) cDNA cloning, tissue distribution, and identification of the catalytic triad of monoglyceride lipase. Evolutionary relationship to esterases, lysophospholipases, and haloperoxidases. J Biol Chem 272:27218-27223.
-
(1997)
J Biol Chem
, vol.272
, pp. 27218-27223
-
-
Karlsson, M.1
Contreras, J.A.2
Hellman, U.3
Tornqvist, H.4
Holm, C.5
-
14
-
-
71149108705
-
Discovery of potent and reversible monoacylglycerol lipase inhibitors
-
King AR, Dotsey EY, Lodola A, Jung KM, Ghomian A, Qiu Y, Fu J, Mor M, and Piomelli D (2009a) Discovery of potent and reversible monoacylglycerol lipase inhibitors. Chem Biol 16:1045-1052.
-
(2009)
Chem Biol
, vol.16
, pp. 1045-1052
-
-
King, A.R.1
Dotsey, E.Y.2
Lodola, A.3
Jung, K.M.4
Ghomian, A.5
Qiu, Y.6
Fu, J.7
Mor, M.8
Piomelli, D.9
-
15
-
-
70350339817
-
A critical cysteine residue in monoacylglycerol lipase is targeted by a new class of isothiazolinonebased enzyme inhibitors
-
King AR, Lodola A, Carmi C, Fu J, Mor M, and Piomelli D (2009b) A critical cysteine residue in monoacylglycerol lipase is targeted by a new class of isothiazolinonebased enzyme inhibitors. Br J Pharmacol 157:974-983.
-
(2009)
Br J Pharmacol
, vol.157
, pp. 974-983
-
-
King, A.R.1
Lodola, A.2
Carmi, C.3
Fu, J.4
Mor, M.5
Piomelli, D.6
-
16
-
-
25444442630
-
S-nitrosothiols modulate G protein-coupled receptor signaling in a reversible and highly receptor-specific manner
-
Kokkola T, Savinainen JR, Mönkkönen KS, Retamal MD, and Laitinen JT (2005) S-nitrosothiols modulate G protein-coupled receptor signaling in a reversible and highly receptor-specific manner. BMC Cell Biol 6:21.
-
(2005)
BMC Cell Biol
, vol.6
, pp. 21
-
-
Kokkola, T.1
Savinainen, J.R.2
Mönkkönen, K.S.3
Retamal, M.D.4
Laitinen, J.T.5
-
17
-
-
76649126721
-
Crystal structure of the human monoacylglycerol lipase, a key actor in endocannabinoid signaling
-
Labar G, Bauvois C, Borel F, Ferrer JL, Wouters J, and Lambert DM (2010) Crystal structure of the human monoacylglycerol lipase, a key actor in endocannabinoid signaling. ChemBioChem 11:218-227.
-
(2010)
ChemBioChem
, vol.11
, pp. 218-227
-
-
Labar, G.1
Bauvois, C.2
Borel, F.3
Ferrer, J.L.4
Wouters, J.5
Lambert, D.M.6
-
18
-
-
84886299516
-
-
Chemical Computing Group, Chemical Computing Group, Montreal, QC, Canada
-
Chemical Computing Group (2012) Molecular Operating Environment (MOE), version 2012.10, Chemical Computing Group, Montreal, QC, Canada.
-
(2012)
Molecular Operating Environment (MOE) version 2012.10
-
-
-
19
-
-
84867339289
-
Biochemical and pharmacological characterization of human a/b-hydrolase domain containing 6 (ABHD6) and 12 (ABHD12)
-
Navia-Paldanius D, Savinainen JR, and Laitinen JT (2012) Biochemical and pharmacological characterization of human a/b-hydrolase domain containing 6 (ABHD6) and 12 (ABHD12). J Lipid Res 53:2413-2424.
-
(2012)
J Lipid Res
, vol.53
, pp. 2413-2424
-
-
Navia-Paldanius, D.1
Savinainen, J.R.2
Laitinen, J.T.3
-
20
-
-
73149109062
-
Monoacylglycerol lipase regulates a fatty acid network that promotes cancer pathogenesis
-
Nomura DK, Long JZ, Niessen S, Hoover HS, Ng SW, and Cravatt BF (2010) Monoacylglycerol lipase regulates a fatty acid network that promotes cancer pathogenesis. Cell 140:49-61.
-
(2010)
Cell
, vol.140
, pp. 49-61
-
-
Nomura, D.K.1
Long, J.Z.2
Niessen, S.3
Hoover, H.S.4
Ng, S.W.5
Cravatt, B.F.6
-
21
-
-
81055156684
-
Endocannabinoid hydrolysis generates brain prostaglandins that promote neuroinflammation
-
Nomura DK, Morrison BE, Blankman JL, Long JZ, Kinsey SG, Marcondes MC, Ward AM, Hahn YK, Lichtman AH, and Conti B et al. (2011) Endocannabinoid hydrolysis generates brain prostaglandins that promote neuroinflammation. Science 334:809-813.
-
(2011)
Science
, vol.334
, pp. 809-813
-
-
Nomura, D.K.1
Morrison, B.E.2
Blankman, J.L.3
Long, J.Z.4
Kinsey, S.G.5
Marcondes, M.C.6
Ward, A.M.7
Hahn, Y.K.8
Lichtman, A.H.9
Conti, B.10
-
22
-
-
4444221565
-
UCSF Chimera-A visualization system for exploratory research and analysis
-
Pettersen EF, Goddard TD, Huang CC, Couch GS, Greenblatt DM, Meng EC, and Ferrin TE (2004) UCSF Chimera-a visualization system for exploratory research and analysis. J Comput Chem 25:1605-1612.
-
(2004)
J Comput Chem
, vol.25
, pp. 1605-1612
-
-
Pettersen, E.F.1
Goddard, T.D.2
Huang, C.C.3
Couch, G.S.4
Greenblatt, D.M.5
Meng, E.C.6
Ferrin, T.E.7
-
23
-
-
84863103124
-
A dysregulated endocannabinoid-eicosanoid network supports pathogenesis in a mouse model of Alzheimer's disease
-
Piro JR, Benjamin DI, Duerr JM, Pi Y, Gonzales C, Wood KM, Schwartz JW, Nomura DK, and Samad TA (2012) A dysregulated endocannabinoid-eicosanoid network supports pathogenesis in a mouse model of Alzheimer's disease. Cell Rep 1:617-623.
-
(2012)
Cell Rep
, vol.1
, pp. 617-623
-
-
Piro, J.R.1
Benjamin, D.I.2
Duerr, J.M.3
Pi, Y.4
Gonzales, C.5
Wood, K.M.6
Schwartz, J.W.7
Nomura, D.K.8
Samad, T.A.9
-
24
-
-
84886673603
-
Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase
-
Rengachari S, Aschauer P, Schittmayer M, Mayer N, Gruber K, Breinbauer R, Birner-Gruenberger R, Dreveny I, and ObererM (2013) Conformational plasticity and ligand binding of bacterial monoacylglycerol lipase. J Biol Chem 288:31093-31104.
-
(2013)
J Biol Chem
, vol.288
, pp. 31093-31104
-
-
Rengachari, S.1
Aschauer, P.2
Schittmayer, M.3
Mayer, N.4
Gruber, K.5
Breinbauer, R.6
Birner-Gruenberger, R.7
Dreveny, I.8
Oberer, M.9
-
25
-
-
80054080661
-
Endocannabinoid oxygenation by cyclooxygenases, lipoxygenases, and cytochromes P450: Cross-talk between the eicosanoid and endocannabinoid signaling pathways
-
Rouzer CA and Marnett LJ (2011) Endocannabinoid oxygenation by cyclooxygenases, lipoxygenases, and cytochromes P450: Cross-talk between the eicosanoid and endocannabinoid signaling pathways. Chem Rev 111:5899-5921.
-
(2011)
Chem Rev
, vol.111
, pp. 5899-5921
-
-
Rouzer, C.A.1
Marnett, L.J.2
-
26
-
-
33646940952
-
Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
DOI: 10.1016/0021-9991(77)90098-5
-
Ryckaert JP, Ciccotti G, and Berendsen HJC (1977) Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes. J Comput Phys 23:327-341 DOI: 10.1016/0021-9991(77)90098- 5.
-
(1977)
J Comput Phys
, vol.23
, pp. 327-341
-
-
Ryckaert, J.P.1
Ciccotti, G.2
Berendsen, H.J.C.3
-
27
-
-
1542346866
-
Monoglyceride lipase-like enzymatic activity is responsible for hydrolysis of 2-arachidonoylglycerol in rat cerebellar membranes
-
Saario SM, Savinainen JR, Laitinen JT, Järvinen T, and Niemi R (2004) Monoglyceride lipase-like enzymatic activity is responsible for hydrolysis of 2-arachidonoylglycerol in rat cerebellar membranes. Biochem Pharmacol 67:1381-1387.
-
(2004)
Biochem Pharmacol
, vol.67
, pp. 1381-1387
-
-
Saario, S.M.1
Savinainen, J.R.2
Laitinen, J.T.3
Järvinen, T.4
Niemi, R.5
-
28
-
-
24944508307
-
Characterization of the sulfhydryl-sensitive site inthe enzyme responsible forhydrolysis of 2-arachidonoyl-glycerol in rat cerebellar membranes
-
Saario SM, Salo OM, Nevalainen T, Poso A, Laitinen JT, Järvinen T, and Niemi R (2005) Characterization of the sulfhydryl-sensitive site inthe enzyme responsible forhydrolysis of 2-arachidonoyl-glycerol in rat cerebellar membranes. Chem Biol 12:649-656.
-
(2005)
Chem Biol
, vol.12
, pp. 649-656
-
-
Saario, S.M.1
Salo, O.M.2
Nevalainen, T.3
Poso, A.4
Laitinen, J.T.5
Järvinen, T.6
Niemi, R.7
-
29
-
-
22744435568
-
Identification of WIN55212-3 as a competitive neutral antagonist of the human cannabinoid CB2 receptor
-
Savinainen JR, Kokkola T, Salo OM, Poso A, Järvinen T, and Laitinen JT (2005) Identification of WIN55212-3 as a competitive neutral antagonist of the human cannabinoid CB2 receptor. Br J Pharmacol 145:636-645.
-
(2005)
Br J Pharmacol
, vol.145
, pp. 636-645
-
-
Savinainen, J.R.1
Kokkola, T.2
Salo, O.M.3
Poso, A.4
Järvinen, T.5
Laitinen, J.T.6
-
30
-
-
84855359304
-
The serine hydrolases MAGL, ABHD6 and ABHD12 as guardians of 2-arachidonoylglycerol signalling through cannabinoid receptors
-
Savinainen JR, Saario SM, and Laitinen JT (2012) The serine hydrolases MAGL, ABHD6 and ABHD12 as guardians of 2-arachidonoylglycerol signalling through cannabinoid receptors. Acta Physiol (Oxf) 204:267-276.
-
(2012)
Acta Physiol (Oxf)
, vol.204
, pp. 267-276
-
-
Savinainen, J.R.1
Saario, S.M.2
Laitinen, J.T.3
-
31
-
-
79953202170
-
Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution
-
Schalk-Hihi C, Schubert C, Alexander R, Bayoumy S, Clemente JC, Deckman I, DesJarlais RL, Dzordzorme KC, Flores CM, and Grasberger B et al. (2011) Crystal structure of a soluble form of human monoglyceride lipase in complex with an inhibitor at 1.35 A resolution. Protein Sci 20:670-683.
-
(2011)
Protein Sci
, vol.20
, pp. 670-683
-
-
Schalk-Hihi, C.1
Schubert, C.2
Alexander, R.3
Bayoumy, S.4
Clemente, J.C.5
Deckman, I.6
DesJarlais, R.L.7
Dzordzorme, K.C.8
Flores, C.M.9
Grasberger, B.10
-
32
-
-
0035929149
-
Nitrosylation. The prototypic redox-based signaling mechanism
-
Stamler JS, Lamas S, and Fang FC (2001) Nitrosylation. the prototypic redox-based signaling mechanism. Cell 106:675-683.
-
(2001)
Cell
, vol.106
, pp. 675-683
-
-
Stamler, J.S.1
Lamas, S.2
Fang, F.C.3
-
33
-
-
0017295234
-
Purification and some properties of a monoacylglycerol-hydrolyzing enzyme of rat adipose tissue
-
Tornqvist H and Belfrage P (1976) Purification and some properties of a monoacylglycerol-hydrolyzing enzyme of rat adipose tissue. J Biol Chem 251:813-819.
-
(1976)
J Biol Chem
, vol.251
, pp. 813-819
-
-
Tornqvist, H.1
Belfrage, P.2
-
34
-
-
34548068590
-
Hydrolysis of prostaglandin glycerol esters by the endocannabinoid- hydrolyzing enzymes, monoacylglycerol lipase and fatty acid amide hydrolase
-
Vila A, Rosengarth A, Piomelli D, Cravatt B, and Marnett LJ (2007) Hydrolysis of prostaglandin glycerol esters by the endocannabinoid-hydrolyzing enzymes, monoacylglycerol lipase and fatty acid amide hydrolase. Biochemistry 46: 9578-9585.
-
(2007)
Biochemistry
, vol.46
, pp. 9578-9585
-
-
Vila, A.1
Rosengarth, A.2
Piomelli, D.3
Cravatt, B.4
Marnett, L.J.5
-
35
-
-
2942532422
-
Development and testing of a general amber force field
-
Wang J, Wolf RM, Caldwell JW, Kollman PA, and Case DA (2004) Development and testing of a general amber force field. J Comput Chem 25:1157-1174.
-
(2004)
J Comput Chem
, vol.25
, pp. 1157-1174
-
-
Wang, J.1
Wolf, R.M.2
Caldwell, J.W.3
Kollman, P.A.4
Case, D.A.5
-
36
-
-
78650452903
-
Inactivation of lipid glyceryl ester metabolism in human THP1 monocytes/ macrophages by activated organophosphorus insecticides: Role of carboxylesterases 1 and 2
-
Xie S, Borazjani A, Hatfield MJ, Edwards CC, Potter PM, and Ross MK (2010) Inactivation of lipid glyceryl ester metabolism in human THP1 monocytes/ macrophages by activated organophosphorus insecticides: Role of carboxylesterases 1 and 2. Chem Res Toxicol 23:1890-1904.
-
(2010)
Chem Res Toxicol
, vol.23
, pp. 1890-1904
-
-
Xie, S.1
Borazjani, A.2
Hatfield, M.J.3
Edwards, C.C.4
Potter, P.M.5
Ross, M.K.6
-
37
-
-
49449092396
-
Covalent inhibitors of human monoacylglycerol lipase: Ligand-assisted characterization of the catalytic site by mass spectrometry and mutational analysis
-
Zvonok N, Pandarinathan L, Williams J, Johnston M, Karageorgos I, Janero DR, Krishnan SC, and Makriyannis A (2008) Covalent inhibitors of human monoacylglycerol lipase: Ligand-assisted characterization of the catalytic site by mass spectrometry and mutational analysis. Chem Biol 15:854-862.
-
(2008)
Chem Biol
, vol.15
, pp. 854-862
-
-
Zvonok, N.1
Pandarinathan, L.2
Williams, J.3
Johnston, M.4
Karageorgos, I.5
Janero, D.R.6
Krishnan, S.C.7
Makriyannis, A.8
|