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Volumn 425, Issue 16, 2013, Pages 2878-2893

Molecular mechanism of peroxisome proliferator-activated receptor α activation by WY14643: A new mode of ligand recognition and receptor stabilization

Author keywords

crystal structure; dry eye disease; molecular dynamics; PPAR ; protein and ligand interaction

Indexed keywords

FIBRIC ACID DERIVATIVE; GW 6471; INTERLEUKIN 6; INTERLEUKIN 8; OXYGEN; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA; PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ANTAGONIST; PIRINIXIC ACID; UNCLASSIFIED DRUG;

EID: 84880923648     PISSN: 00222836     EISSN: 10898638     Source Type: Journal    
DOI: 10.1016/j.jmb.2013.05.010     Document Type: Article
Times cited : (88)

References (79)
  • 1
    • 0036183630 scopus 로고    scopus 로고
    • The mechanisms of action of PPARs
    • DOI 10.1146/annurev.med.53.082901.104018
    • J. Berger, and D.E. Moller The mechanisms of action of PPARs Annu. Rev. Med. 53 2002 409 435 (Pubitemid 34177889)
    • (2002) Annual Review of Medicine , vol.53 , pp. 409-435
    • Berger, J.1    Moller, D.E.2
  • 2
    • 33646772536 scopus 로고    scopus 로고
    • The nuclear receptor superfamily and drug discovery
    • DOI 10.1002/cmdc.200600006
    • J.T. Moore, J.L. Collins, and K.H. Pearce The nuclear receptor superfamily and drug discovery ChemMedChem 1 2006 504 523 (Pubitemid 43759761)
    • (2006) ChemMedChem , vol.1 , Issue.5 , pp. 504-523
    • Moore, J.T.1    Collins, J.L.2    Pearce, K.H.3
  • 3
    • 82655171926 scopus 로고    scopus 로고
    • Structural analysis of nuclear receptors: From isolated domains to integral proteins
    • Y. Brélivet, N. Rochel, and D. Moras Structural analysis of nuclear receptors: from isolated domains to integral proteins Mol. Cell. Endocrinol. 348 2011 466 473
    • (2011) Mol. Cell. Endocrinol. , vol.348 , pp. 466-473
    • Brélivet, Y.1    Rochel, N.2    Moras, D.3
  • 4
    • 21744435965 scopus 로고    scopus 로고
    • Controlling nuclear receptors: The circular logic of cofactor cycles
    • DOI 10.1038/nrm1680
    • V. Perissi, and M.G. Rosenfeld Controlling nuclear receptors: the circular logic of cofactor cycles Nat. Rev., Mol. Cell Biol. 6 2005 542 554 (Pubitemid 40943045)
    • (2005) Nature Reviews Molecular Cell Biology , vol.6 , Issue.7 , pp. 542-554
    • Perissi, V.1    Rosenfeld, M.G.2
  • 5
    • 78751513652 scopus 로고    scopus 로고
    • Nuclear receptor coactivators: Structural and functional biochemistry
    • Y.A. Bulynko, and B.W. O'Malley Nuclear receptor coactivators: structural and functional biochemistry Biochemistry 50 2010 313 328
    • (2010) Biochemistry , vol.50 , pp. 313-328
    • Bulynko, Y.A.1    O'Malley, B.W.2
  • 9
    • 21644436821 scopus 로고    scopus 로고
    • Peroxisome proliferator-activated receptor (PPAR)-α: A pharmacological target with a promising future
    • DOI 10.1023/B:PHAM.0000041444.06122.8d
    • D.H. van Raalte, M. Li, P.H. Pritchard, and K.M. Wasan Peroxisome proliferator-activated receptor (PPAR)-α: a pharmacological target with a promising future Pharmacol. Res. 21 2004 1531 1538 (Pubitemid 41184380)
    • (2004) Pharmaceutical Research , vol.21 , Issue.9 , pp. 1531-1538
    • Van Raalte, D.H.1    Li, M.2    Pritchard, P.H.3    Wasan, K.M.4
  • 10
    • 79953290954 scopus 로고    scopus 로고
    • Prediction of the PPARα agonism of fibrates by combined MM-docking approaches
    • F. Lannutti, A. Marrone, and N. Re Prediction of the PPARα agonism of fibrates by combined MM-docking approaches J. Mol. Graphics Modell. 29 2011 865 875
    • (2011) J. Mol. Graphics Modell. , vol.29 , pp. 865-875
    • Lannutti, F.1    Marrone, A.2    Re, N.3
  • 11
    • 0034306499 scopus 로고    scopus 로고
    • Nuclear receptor ligand-binding domains: Three-dimensional structures, molecular interactions and pharmacological implications
    • W. Bourguet, P. Germain, and H. Gronemeyer Nuclear receptor ligand-binding domains: three-dimensional structures, molecular interactions and pharmacological implications Trends Pharmacol. Sci. 21 2000 381 388
    • (2000) Trends Pharmacol. Sci. , vol.21 , pp. 381-388
    • Bourguet, W.1    Germain, P.2    Gronemeyer, H.3
  • 13
    • 11144310564 scopus 로고    scopus 로고
    • An overview on biological mechanisms of PPARs
    • DOI 10.1016/j.phrs.2004.07.012, PII S104366180400194X
    • B. Kota, T. Huang, and B. Roufogalis An overview on biological mechanisms of PPARs Pharmacol. Res. 51 2005 85 94 (Pubitemid 40040538)
    • (2005) Pharmacological Research , vol.51 , Issue.2 , pp. 85-94
    • Kota, B.P.1    Huang, T.H.-W.2    Roufogalis, B.D.3
  • 14
    • 0033305213 scopus 로고    scopus 로고
    • Peroxisome proliferator-activated receptors: Nuclear control of metabolism
    • B. Desvergne, and W. Wahli Peroxisome proliferator-activated receptors: nuclear control of metabolism Endocr. Rev. 20 1999 649 688 (Pubitemid 30650602)
    • (1999) Endocrine Reviews , vol.20 , Issue.5 , pp. 649-688
    • Desvergne, B.1    Wahli, W.2
  • 15
    • 0034713444 scopus 로고    scopus 로고
    • Roles of PPARS in health and disease
    • DOI 10.1038/35013000
    • S. Kersten, B. Desvergne, and W. Wahli Roles of PPARs in health and disease Nature 405 2000 421 424 (Pubitemid 30367411)
    • (2000) Nature , vol.405 , Issue.6785 , pp. 421-424
    • Kersten, S.1    Desvergne, B.2    Wahli, W.3
  • 16
    • 50649089597 scopus 로고    scopus 로고
    • Fibrates and future PPARα agonists in the treatment of cardiovascular disease
    • B. Staels, M. Maes, and A. Zambon Fibrates and future PPARα agonists in the treatment of cardiovascular disease Nat. Clin. Pract. Cardiovasc. Med. 5 2008 542 553
    • (2008) Nat. Clin. Pract. Cardiovasc. Med. , vol.5 , pp. 542-553
    • Staels, B.1    Maes, M.2    Zambon, A.3
  • 17
    • 13844272245 scopus 로고    scopus 로고
    • Effectiveness and tolerability of simvastatin plus fenofibrate for combined hyperlipidemia (the SAFARI trial)
    • DOI 10.1016/j.amjcard.2004.10.012
    • S.M. Grundy, G.L. Vega, Z. Yuan, W.P. Battisti, W.E. Brady, and J. Palmisano Effectiveness and tolerability of simvastatin plus fenofibrate for combined hyperlipidemia (the SAFARI trial) Am. J. Cardiol. 95 2005 462 468 (Pubitemid 40247539)
    • (2005) American Journal of Cardiology , vol.95 , Issue.4 , pp. 462-468
    • Grundy, S.M.1    Vega, G.L.2    Yuan, Z.3    Battisti, W.P.4    Brady, W.E.5    Palmisano, J.6
  • 18
    • 77950591507 scopus 로고    scopus 로고
    • Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor α selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4- yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453)
    • J. Li, L.J. Kennedy, Y. Shi, S. Tao, X.Y. Ye, and S.Y. Chen Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor α selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl) (methoxycarbonyl)amino)acetic acid (BMS-687453) J. Med. Chem. 53 2010 2854 2864
    • (2010) J. Med. Chem. , vol.53 , pp. 2854-2864
    • Li, J.1    Kennedy, L.J.2    Shi, Y.3    Tao, S.4    Ye, X.Y.5    Chen, S.Y.6
  • 19
    • 0016394077 scopus 로고
    • A potent antihypercholesterolemic agent: (4-chloro-6-(2,3-xylidino)-2- pyrimidinylthio) acetic acid (Wy-14643)
    • A.A. Santilli, A.C. Scotese, and R.M. Tomarelli A potent antihypercholesterolemic agent: (4-chloro-6-(2,3-xylidino)-2-pyrimidinylthio) acetic acid (Wy-14643) Experientia 30 1974 1110 1111
    • (1974) Experientia , vol.30 , pp. 1110-1111
    • Santilli, A.A.1    Scotese, A.C.2    Tomarelli, R.M.3
  • 21
    • 79952225162 scopus 로고    scopus 로고
    • WY-14643, a potent peroxisome proliferator activator receptor-α PPAR-α agonist ameliorates the inflammatory process associated to experimental periodontitis
    • E. Briguglio, R. Di Paola, I. Paterniti, E. Mazzon, G. Oteri, G. Cordasco, and S. Cuzzocrea WY-14643, a potent peroxisome proliferator activator receptor-α PPAR-α agonist ameliorates the inflammatory process associated to experimental periodontitis PPAR Res. 2010 2010 193019
    • (2010) PPAR Res. , vol.2010 , pp. 193019
    • Briguglio, E.1    Di Paola, R.2    Paterniti, I.3    Mazzon, E.4    Oteri, G.5    Cordasco, G.6    Cuzzocrea, S.7
  • 22
    • 0034965596 scopus 로고    scopus 로고
    • Peroxisome proliferator-activated receptors in inflammation control
    • DOI 10.1677/joe.0.1690453
    • P. Delerive, J.C. Fruchart, and B. Staels Peroxisome proliferator- activated receptors in inflammation control J. Endocrinol. 169 2001 453 459 (Pubitemid 32536978)
    • (2001) Journal of Endocrinology , vol.169 , Issue.3 , pp. 453-459
    • Delerive, P.1    Fruchart, J.-C.2    Staels, B.3
  • 23
    • 2542465868 scopus 로고    scopus 로고
    • Evidence for anti-inflammatory activity of statins and PPARα activators in human C-reactive protein transgenic mice in vivo and in cultured human hepatocytes in vitro
    • DOI 10.1182/blood-2003-11-3791
    • R. Kleemann, L. Verschuren, B.J. de Rooij, J. Lindeman, M.M. de Maat, and A.J. Szalai Evidence for anti-inflammatory activity of statins and PPARα activators in human C-reactive protein transgenic mice in vivo and in cultured human hepatocytes in vitro Blood 103 2004 4188 4194 (Pubitemid 38685361)
    • (2004) Blood , vol.103 , Issue.11 , pp. 4188-4194
    • Kleemann, R.1    Verschuren, L.2    De Rooij, B.-J.3    Lindeman, J.4    De Maat, M.M.5    Szalai, A.J.6    Princen, H.M.G.7    Kooistra, T.8
  • 25
    • 34548858706 scopus 로고    scopus 로고
    • Yin and yang in cytokine regulation of corneal wound healing: Roles of TNF-α
    • S. Saika Yin and yang in cytokine regulation of corneal wound healing: roles of TNF-α Cornea 26 2007 S70 S74
    • (2007) Cornea , vol.26
    • Saika, S.1
  • 26
    • 78650036829 scopus 로고    scopus 로고
    • WY-14 643, a selective PPARα agonist, induces proinflammatory and proangiogenic responses in human ocular cells
    • J.Z. Zhang, and K.W. Ward WY-14 643, a selective PPARα agonist, induces proinflammatory and proangiogenic responses in human ocular cells Int. J. Toxicol. 29 2010 496 504
    • (2010) Int. J. Toxicol. , vol.29 , pp. 496-504
    • Zhang, J.Z.1    Ward, K.W.2
  • 27
    • 0034723274 scopus 로고    scopus 로고
    • Regulation of cyclooxygenase-2 by hypoxia and peroxisome proliferators in the corneal epithelium
    • DOI 10.1074/jbc.275.4.2837
    • A. Bonazzi, V. Mastyugin, P.A. Mieyal, M.W. Dunn, and M. Laniado-Schwartzman Regulation of cyclooxygenase-2 by hypoxia and peroxisome proliferators in the corneal epithelium J. Biol. Chem. 275 2000 2837 2844 (Pubitemid 30082057)
    • (2000) Journal of Biological Chemistry , vol.275 , Issue.4 , pp. 2837-2844
    • Bonazzi, A.1    Mastyugin, V.2    Mieyal, P.A.3    Dunn, M.W.4    Laniado-Schwartzman, M.5
  • 30
  • 32
    • 64249155573 scopus 로고    scopus 로고
    • Aleglitazar, a new, potent, and balanced dual PPARα/γ agonist for the treatment of type II diabetes
    • A. Bénardeau, J. Benz, A. Binggeli, D. Blum, M. Boehringer, and U. Grether Aleglitazar, a new, potent, and balanced dual PPARα/γ agonist for the treatment of type II diabetes Bioorg. Med. Chem. Lett. 19 2009 2468 2473
    • (2009) Bioorg. Med. Chem. Lett. , vol.19 , pp. 2468-2473
    • Bénardeau, A.1    Benz, J.2    Binggeli, A.3    Blum, D.4    Boehringer, M.5    Grether, U.6
  • 33
    • 0031013395 scopus 로고    scopus 로고
    • Peroxisome proliferator-activated receptors α and γ are activated by indomethacin and other non-steroidal anti-inflammatory drugs
    • J.M. Lehmann, J.M. Lenhard, B.B. Oliver, G.M. Ringold, and S.A. Kliewer Peroxisome proliferator-activated receptors α and γ are activated by indomethacin and other non-steroidal anti-inflammatory drugs J. Biol. Chem. 272 1997 3406 3410
    • (1997) J. Biol. Chem. , vol.272 , pp. 3406-3410
    • Lehmann, J.M.1    Lenhard, J.M.2    Oliver, B.B.3    Ringold, G.M.4    Kliewer, S.A.5
  • 34
    • 0029094037 scopus 로고
    • A single amino acid change in the mouse peroxisome proliferator-activated receptor α alters transcriptional responses to peroxisome proliferators
    • M.H. Hsu, C.N. Palmer, K.J. Griffin, and E.F. Johnson A single amino acid change in the mouse peroxisome proliferator-activated receptor α alters transcriptional responses to peroxisome proliferators Mol. Pharmacol. 48 1995 559 567
    • (1995) Mol. Pharmacol. , vol.48 , pp. 559-567
    • Hsu, M.H.1    Palmer, C.N.2    Griffin, K.J.3    Johnson, E.F.4
  • 36
    • 11244328917 scopus 로고    scopus 로고
    • The nuclear receptor peroxisome proliferator-activated receptor-α mediates the anti-inflammatory actions of palmitoylethanolamide
    • DOI 10.1124/mol.104.006353
    • J. Lo Verme, J. Fu, G. Astarita, G. La Rana, R. Russo, A. Calignano, and D. Piomelli The nuclear receptor peroxisome proliferator-activated receptor-α mediates the anti-inflammatory actions of palmitoylethanolamide Mol. Pharmacol. 67 2005 15 19 (Pubitemid 40069962)
    • (2005) Molecular Pharmacology , vol.67 , Issue.1 , pp. 15-19
    • Lo Verme, J.1    Fu, J.2    Astarita, G.3    La Rana, G.4    Russo, R.5    Calignano, A.6    Piomelli, D.7
  • 37
    • 80052398222 scopus 로고    scopus 로고
    • Structural basis for iloprost as a dual peroxisome proliferator-activated receptor α/δ agonist
    • L. Jin, S. Lin, H. Rong, S. Zheng, S. Jin, R. Wang, and Y. Li Structural basis for iloprost as a dual peroxisome proliferator-activated receptor α/δ agonist J. Biol. Chem. 286 2011 31473 31479
    • (2011) J. Biol. Chem. , vol.286 , pp. 31473-31479
    • Jin, L.1    Lin, S.2    Rong, H.3    Zheng, S.4    Jin, S.5    Wang, R.6    Li, Y.7
  • 38
    • 44649181077 scopus 로고    scopus 로고
    • α-Alkyl substituted pirinixic acid derivatives as potent dual agonists of the peroxisome proliferator activated receptor α and γ
    • O. Rau, Y. Syha, H. Zettl, M. Kock, A. Bock, and M. Schubert-Zsilavecz α-Alkyl substituted pirinixic acid derivatives as potent dual agonists of the peroxisome proliferator activated receptor α and γ Arch. Pharm. (Weinheim, Ger.) 341 2008 191 195
    • (2008) Arch. Pharm. (Weinheim, Ger.) , vol.341 , pp. 191-195
    • Rau, O.1    Syha, Y.2    Zettl, H.3    Kock, M.4    Bock, A.5    Schubert-Zsilavecz, M.6
  • 40
    • 0035431321 scopus 로고    scopus 로고
    • Structure of the PPARα and -γ ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family
    • DOI 10.1016/S0969-2126(01)00634-7, PII S0969212601006347
    • P. Cronet, J.F. Petersen, R. Folmer, N. Blomberg, K. Sjöblom, and U. Karlsson Structure of the PPARα and -γ ligand binding domain in complex with AZ 242; ligand selectivity and agonist activation in the PPAR family Structure 9 2001 699 706 (Pubitemid 32772892)
    • (2001) Structure , vol.9 , Issue.8 , pp. 699-706
    • Cronet, P.1    Petersen, J.F.W.2    Folmer, R.3    Blomberg, N.4    Sjoblom, K.5    Karlsson, U.6    Lindstedt, E.-L.7    Bamberg, K.8
  • 42
    • 68349133175 scopus 로고    scopus 로고
    • Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures
    • T. Oyama, K. Toyota, T. Waku, Y. Hirakawa, N. Nagasawa, and J.I. Kasuga Adaptability and selectivity of human peroxisome proliferator-activated receptor (PPAR) pan agonists revealed from crystal structures Acta Crystallogr., Sect. D: Biol. Crystallogr. 65 2009 786 795
    • (2009) Acta Crystallogr., Sect. D: Biol. Crystallogr. , vol.65 , pp. 786-795
    • Oyama, T.1    Toyota, K.2    Waku, T.3    Hirakawa, Y.4    Nagasawa, N.5    Kasuga, J.I.6
  • 44
    • 34547107881 scopus 로고    scopus 로고
    • Ajulemic acid, a synthetic nonpsychoactive cannabinoid acid, bound to the ligand binding domain of the human peroxisome proliferator-activated receptor γ
    • DOI 10.1074/jbc.M702538200
    • A. Ambrosio, S. Dias, I. Polikarpov, R. Zurier, S. Burstein, and R. Garratt Ajulemic acid, a synthetic nonpsychoactive cannabinoid acid, bound to the ligand binding domain of the human peroxisome proliferator-activated receptor γ J. Biol. Chem. 282 2007 18625 18633 (Pubitemid 47100214)
    • (2007) Journal of Biological Chemistry , vol.282 , Issue.25 , pp. 18625-18633
    • Ambrosio, A.L.B.1    Dias, S.M.G.2    Polikarpov, I.3    Zurier, R.B.4    Burstein, S.H.5    Garratt, R.C.6
  • 45
    • 84864976082 scopus 로고    scopus 로고
    • GQ-16, a novel peroxisome proliferator-activated receptor γ (PPARγ) ligand, promotes insulin sensitization without weight gain
    • A.A. Amato, S. Rajagopalan, J.Z. Lin, B.M. Carvalho, A.C. Figueira, and J. Lu GQ-16, a novel peroxisome proliferator-activated receptor γ (PPARγ) ligand, promotes insulin sensitization without weight gain J. Biol. Chem. 287 2012 28169 28179
    • (2012) J. Biol. Chem. , vol.287 , pp. 28169-28179
    • Amato, A.A.1    Rajagopalan, S.2    Lin, J.Z.3    Carvalho, B.M.4    Figueira, A.C.5    Lu, J.6
  • 46
    • 84861381281 scopus 로고    scopus 로고
    • Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists
    • M.V. Liberato, A.S. Nascimento, S.D. Ayers, J.Z. Lin, A. Cvoro, and R.L. Silveira Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists PLoS One 7 2012 e36297
    • (2012) PLoS One , vol.7 , pp. 36297
    • Liberato, M.V.1    Nascimento, A.S.2    Ayers, S.D.3    Lin, J.Z.4    Cvoro, A.5    Silveira, R.L.6
  • 47
    • 51849109110 scopus 로고    scopus 로고
    • Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: Simulations using a novel multipoint steered molecular dynamics approach
    • L. Martínez, I. Polikarpov, and M.S. Skaf Only subtle protein conformational adaptations are required for ligand binding to thyroid hormone receptors: simulations using a novel multipoint steered molecular dynamics approach J. Phys. Chem. B 112 2008 10741 10751
    • (2008) J. Phys. Chem. B , vol.112 , pp. 10741-10751
    • Martínez, L.1    Polikarpov, I.2    Skaf, M.S.3
  • 48
    • 84862095440 scopus 로고    scopus 로고
    • Enzyme microheterogeneous hydration and stabilization in supercritical carbon dioxide
    • R.L. Silveira, J. Martínez, M.S. Skaf, and L. Martínez Enzyme microheterogeneous hydration and stabilization in supercritical carbon dioxide J. Phys. Chem. B 116 2012 5671 5678
    • (2012) J. Phys. Chem. B , vol.116 , pp. 5671-5678
    • Silveira, R.L.1    Martínez, J.2    Skaf, M.S.3    Martínez, L.4
  • 49
    • 79957576579 scopus 로고    scopus 로고
    • Control of nuclear receptor activities in metabolism by post-translational modifications
    • W. Berrabah, P. Aumercier, P. Lefebvre, and B. Staels Control of nuclear receptor activities in metabolism by post-translational modifications FEBS Lett. 585 2011 1640 1650
    • (2011) FEBS Lett. , vol.585 , pp. 1640-1650
    • Berrabah, W.1    Aumercier, P.2    Lefebvre, P.3    Staels, B.4
  • 50
    • 79952275918 scopus 로고    scopus 로고
    • TRPV1 activation is required for hypertonicity-stimulated inflammatory cytokine release in human corneal epithelial cells
    • Z. Pan, Z. Wang, H. Yang, F. Zhang, and P.S. Reinach TRPV1 activation is required for hypertonicity-stimulated inflammatory cytokine release in human corneal epithelial cells Invest. Ophthalmol. Visual Sci. 52 2011 485 493
    • (2011) Invest. Ophthalmol. Visual Sci. , vol.52 , pp. 485-493
    • Pan, Z.1    Wang, Z.2    Yang, H.3    Zhang, F.4    Reinach, P.S.5
  • 51
    • 84867914475 scopus 로고    scopus 로고
    • Correlations between tear cytokines, chemokines, and soluble receptors and clinical severity of dry eye disease
    • K.S. Na, J.W. Mok, J.Y. Kim, C.R. Rho, and C.K. Joo Correlations between tear cytokines, chemokines, and soluble receptors and clinical severity of dry eye disease Invest. Ophthalmol. Visual Sci. 53 2012 5443 5450
    • (2012) Invest. Ophthalmol. Visual Sci. , vol.53 , pp. 5443-5450
    • Na, K.S.1    Mok, J.W.2    Kim, J.Y.3    Rho, C.R.4    Joo, C.K.5
  • 55
    • 57849098033 scopus 로고    scopus 로고
    • Structural insight into PPARγ activation through covalent modification with endogenous fatty acids
    • T. Waku, T. Shiraki, T. Oyama, Y. Fujimoto, K. Maebara, and N. Kamiya Structural insight into PPARγ activation through covalent modification with endogenous fatty acids J. Mol. Biol. 385 2009 188 199
    • (2009) J. Mol. Biol. , vol.385 , pp. 188-199
    • Waku, T.1    Shiraki, T.2    Oyama, T.3    Fujimoto, Y.4    Maebara, K.5    Kamiya, N.6
  • 56
    • 58249099266 scopus 로고    scopus 로고
    • Atomic structure of mutant PPARγ LBD complexed with 15d-PGJ2: Novel modulation mechanism of PPARγ/RXRα function by covalently bound ligands
    • T. Waku, T. Shiraki, T. Oyama, and K. Morikawa Atomic structure of mutant PPARγ LBD complexed with 15d-PGJ2: novel modulation mechanism of PPARγ/RXRα function by covalently bound ligands FEBS Lett. 583 2009 320 324
    • (2009) FEBS Lett. , vol.583 , pp. 320-324
    • Waku, T.1    Shiraki, T.2    Oyama, T.3    Morikawa, K.4
  • 58
    • 0344931796 scopus 로고    scopus 로고
    • Retinoic acid receptor: A simulation analysis of retinoic acid binding and the resulting conformational changes
    • DOI 10.1006/jmbi.1999.2879
    • A. Blondel, J.P. Renaud, S. Fischer, D. Moras, and M. Karplus Retinoic acid receptor: a simulation analysis of retinoic acid binding and the resulting conformational changes J. Mol. Biol. 291 1999 101 115 (Pubitemid 29391408)
    • (1999) Journal of Molecular Biology , vol.291 , Issue.1 , pp. 101-115
    • Blondel, A.1    Renaud, J.-P.2    Fischer, S.3    Moras, D.4    Karplus, M.5
  • 59
    • 33751218931 scopus 로고    scopus 로고
    • Unbinding of Retinoic Acid from the Retinoic Acid Receptor by Random Expulsion Molecular Dynamics
    • DOI 10.1529/biophysj.106.082917
    • P. Carlsson, S. Burendahl, and L. Nilsson Unbinding of retinoic acid from the retinoic acid receptor by random expulsion molecular dynamics Biophys. J. 91 2006 3151 3161 (Pubitemid 44788250)
    • (2006) Biophysical Journal , vol.91 , Issue.9 , pp. 3151-3161
    • Carlsson, P.1    Burendahl, S.2    Nilsson, L.3
  • 60
    • 30444446327 scopus 로고    scopus 로고
    • Molecular dynamics simulations of ligand dissociation from thyroid hormone receptors: Evidence of the likeliest escape pathway and its implications for the design of novel ligands
    • DOI 10.1021/jm050805n
    • L. Martínez, P. Webb, I. Polikarpov, and M.S. Skaf Molecular dynamics simulations of ligand dissociation from thyroid hormone receptors: evidence of the likeliest escape pathway and its implications for the design of novel ligands J. Med. Chem. 49 2006 23 26 (Pubitemid 43077316)
    • (2006) Journal of Medicinal Chemistry , vol.49 , Issue.1 , pp. 23-26
    • Martinez, L.1    Webb, P.2    Polikarpov, I.3    Skaf, M.S.4
  • 61
    • 24144439756 scopus 로고    scopus 로고
    • Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptors
    • DOI 10.1529/biophysj.105.063818
    • L. Martínez, M.T. Sonoda, P. Webb, J.D. Baxter, M.S. Skaf, and I. Polikarpov Molecular dynamics simulations reveal multiple pathways of ligand dissociation from thyroid hormone receptors Biophys. J. 89 2005 2011 2023 (Pubitemid 41233556)
    • (2005) Biophysical Journal , vol.89 , Issue.3 , pp. 2011-2023
    • Martinez, L.1    Sonoda, M.T.2    Webb, P.3    Baxter, J.D.4    Skaf, M.S.5    Polikarpov, I.6
  • 62
    • 41049092350 scopus 로고    scopus 로고
    • Ligand-escape pathways from the ligand-binding domain of PPARγ receptor as probed by molecular dynamics simulations
    • DOI 10.1007/s00249-007-0220-9
    • D. Genest, N. Garnier, A. Arrault, C. Marot, L. Morin-Allory, and M. Genest Ligand-escape pathways from the ligand-binding domain of PPARγ receptor as probed by molecular dynamics simulations Eur. Biophys. J. 37 2008 369 379 (Pubitemid 351423112)
    • (2008) European Biophysics Journal , vol.37 , Issue.4 , pp. 369-379
    • Genest, D.1    Garnier, N.2    Arrault, A.3    Marot, C.4    Morin-Allory, L.5    Genest, M.6
  • 67
    • 84861005876 scopus 로고    scopus 로고
    • Structural insights into human peroxisome proliferator activated receptor δ (PPAR-δ) selective ligand binding
    • F.A. Batista, D.B. Trivella, A. Bernardes, J. Gratieri, P.S. Oliveira, and A.C. Figueira Structural insights into human peroxisome proliferator activated receptor δ (PPAR-δ) selective ligand binding PLoS One 7 2012 e33643
    • (2012) PLoS One , vol.7 , pp. 33643
    • Batista, F.A.1    Trivella, D.B.2    Bernardes, A.3    Gratieri, J.4    Oliveira, P.S.5    Figueira, A.C.6
  • 71
    • 0002181154 scopus 로고
    • Computer experiments on classical fluids. i Thermodinamical properties of Lennard-Jones molecules
    • L. Verlet Computer experiments on classical fluids. I Thermodinamical properties of Lennard-Jones molecules Phys. Rev. 21 1967 1531 1538
    • (1967) Phys. Rev. , vol.21 , pp. 1531-1538
    • Verlet, L.1
  • 72
    • 33846823909 scopus 로고
    • Particle mesh Ewald: An N-log(N) method for Ewald sums in large systems
    • T. Darden, D. York, and L. Pedersen Particle mesh Ewald: an N-log(N) method for Ewald sums in large systems J. Chem. Phys. 98 1993 10089 10092
    • (1993) J. Chem. Phys. , vol.98 , pp. 10089-10092
    • Darden, T.1    York, D.2    Pedersen, L.3
  • 77
    • 79953245515 scopus 로고    scopus 로고
    • CHARMM-based parameterization of neutral articaine - A widely used local anesthetic
    • É.T. Prates, P.C.T. Souza, M. Pickholz, and M.S. Skaf CHARMM-based parameterization of neutral articaine - a widely used local anesthetic Int. J. Quantum Chem. 111 2011 1339 1345
    • (2011) Int. J. Quantum Chem. , vol.111 , pp. 1339-1345
    • Prates, É.T.1    Souza, P.C.T.2    Pickholz, M.3    Skaf, M.S.4


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