-
1
-
-
84877594440
-
Identification of tetrabromobisphenol A allyl ether and tetrabromobisphenol A 2,3-dibromopropyl ether in the ambient environment near a manufacturing site and in mollusks at a coastal region
-
Qu, G., Liu, A., Wang, T., Zhang, C., Fu, J., Yu, M., Sun, J., Zhu, N., Li, Z., Wei, G., Du, Y., Shi, J., Liu, S., and Jiang, G. (2013) Identification of tetrabromobisphenol A allyl ether and tetrabromobisphenol A 2,3-dibromopropyl ether in the ambient environment near a manufacturing site and in mollusks at a coastal region. Environ. Sci. Technol. 47, 4760-4767.
-
(2013)
Environ. Sci. Technol.
, vol.47
, pp. 4760-4767
-
-
Qu, G.1
Liu, A.2
Wang, T.3
Zhang, C.4
Fu, J.5
Yu, M.6
Sun, J.7
Zhu, N.8
Li, Z.9
Wei, G.10
Du, Y.11
Shi, J.12
Liu, S.13
Jiang, G.14
-
2
-
-
0242319568
-
An overview of commercially used brominated flame retardants, their applications, their use patterns in different countries/regions and possible modes of release
-
Alaee, M., Arias, P., Sjödin, A., and Bergman, A. (2003) An overview of commercially used brominated flame retardants, their applications, their use patterns in different countries/regions and possible modes of release. Environ. Int. 29, 683-689.
-
(2003)
Environ. Int.
, vol.29
, pp. 683-689
-
-
Alaee, M.1
Arias, P.2
Sjödin, A.3
Bergman, A.4
-
3
-
-
67449116359
-
Reaction of tetrabromobisphenol A (TBBPA) with manganese dioxide: Kinetics, products, and pathways
-
Lin, K., Liu, W., and Gan, J. (2009) Reaction of tetrabromobisphenol A (TBBPA) with manganese dioxide: kinetics, products, and pathways. Environ. Sci. Technol. 43, 4480-4486.
-
(2009)
Environ. Sci. Technol.
, vol.43
, pp. 4480-4486
-
-
Lin, K.1
Liu, W.2
Gan, J.3
-
4
-
-
80052305965
-
Peroxisome proliferator-activated receptor γ is a target for halogenated analogs of bisphenol A
-
Riu, A., Grimaldi, M., le Maire, A., Bey, G., Phillips, K., Boulahtouf, A., Perdu, E., Zalko, D., Bourguet, W., and Balaguer, P. (2011) Peroxisome proliferator-activated receptor γ is a target for halogenated analogs of bisphenol A. Environ. Health Perspect. 119, 1227-1232.
-
(2011)
Environ. Health Perspect.
, vol.119
, pp. 1227-1232
-
-
Riu, A.1
Grimaldi, M.2
Le Maire, A.3
Bey, G.4
Phillips, K.5
Boulahtouf, A.6
Perdu, E.7
Zalko, D.8
Bourguet, W.9
Balaguer, P.10
-
5
-
-
84871272091
-
Distribution and preliminary exposure assessment of bisphenol AF (BPAF) in various environmental matrices around a manufacturing plant in China
-
Song, S., Ruan, T., Wang, T., Liu, R., and Jiang, G. (2012) Distribution and preliminary exposure assessment of bisphenol AF (BPAF) in various environmental matrices around a manufacturing plant in China. Environ. Sci. Technol. 46, 13136-13143.
-
(2012)
Environ. Sci. Technol.
, vol.46
, pp. 13136-13143
-
-
Song, S.1
Ruan, T.2
Wang, T.3
Liu, R.4
Jiang, G.5
-
6
-
-
84866274611
-
Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes
-
Delfosse, V., Grimaldi, M., Pons, J. L., Boulahtouf, A., le Maire, A., Cavailles, V., Labesse, G., Bourguet, W., and Balaguer, P. (2012) Structural and mechanistic insights into bisphenols action provide guidelines for risk assessment and discovery of bisphenol A substitutes. Proc. Natl. Acad. Sci. U.S.A. 109, 14930-14935.
-
(2012)
Proc. Natl. Acad. Sci. U.S.A.
, vol.109
, pp. 14930-14935
-
-
Delfosse, V.1
Grimaldi, M.2
Pons, J.L.3
Boulahtouf, A.4
Le Maire, A.5
Cavailles, V.6
Labesse, G.7
Bourguet, W.8
Balaguer, P.9
-
7
-
-
84868539153
-
Occurrence of eight bisphenol analogues in indoor dust from the United States and several Asian countries: Implications for human exposure
-
Liao, C., Liu, F., Guo, Y., Moon, H. B., Nakata, H., Wu, Q., and Kannan, K. (2012) Occurrence of eight bisphenol analogues in indoor dust from the United States and several Asian countries: implications for human exposure. Environ. Sci. Technol. 46, 9138-9145.
-
(2012)
Environ. Sci. Technol.
, vol.46
, pp. 9138-9145
-
-
Liao, C.1
Liu, F.2
Guo, Y.3
Moon, H.B.4
Nakata, H.5
Wu, Q.6
Kannan, K.7
-
8
-
-
0346495994
-
Brominated flame retardants: Cause for concern? Environ
-
Linda, S. B., and Daniele, F. S. (2004) Brominated flame retardants: cause for concern? Environ. Health Perspect. 112, 9-17.
-
(2004)
Health Perspect.
, vol.112
, pp. 9-17
-
-
Linda, S.B.1
Daniele, F.S.2
-
9
-
-
33644644599
-
PPARγ and human metabolic disease
-
Semple, R. K., Chatterjee, V. K. K., and O'Rahilly, S. (2006) PPARγ and human metabolic disease. J. Clin. Invest. 116, 581-589.
-
(2006)
J. Clin. Invest.
, vol.116
, pp. 581-589
-
-
Semple, R.K.1
Chatterjee, V.K.K.2
O'Rahilly, S.3
-
10
-
-
34447523339
-
Estrogen receptors: How do they signal and what are their targets
-
Heldring, N., Pike, A., Andersson, S., Matthews, J., Cheng, G., Hartman, J., Tujague, M., Ström, A., Treuter, E., Warner, M., and Gustafsson, J. A. (2007) Estrogen receptors: how do they signal and what are their targets. Physiol. Rev. 87, 905-931.
-
(2007)
Physiol. Rev.
, vol.87
, pp. 905-931
-
-
Heldring, N.1
Pike, A.2
Andersson, S.3
Matthews, J.4
Cheng, G.5
Hartman, J.6
Tujague, M.7
Ström, A.8
Treuter, E.9
Warner, M.10
Gustafsson, J.A.11
-
11
-
-
0035025255
-
In vitro estrogenicity of polybrominated diphenyl ethers, hydroxylated PDBEs, and polybrominated bisphenol A compounds
-
Meerts, I. A., Letcher, R. J., Hoving, S., Marsh, G., Bergman, A., Lemmen, J. G., van der Burg, B., and Brouwer, A. (2001) In vitro estrogenicity of polybrominated diphenyl ethers, hydroxylated PDBEs, and polybrominated bisphenol A compounds. Environ. Health Perspect. 109, 399-407.
-
(2001)
Environ. Health Perspect.
, vol.109
, pp. 399-407
-
-
Meerts, I.A.1
Letcher, R.J.2
Hoving, S.3
Marsh, G.4
Bergman, A.5
Lemmen, J.G.6
Van Der Burg, B.7
Brouwer, A.8
-
12
-
-
80051703928
-
Characterization of novel ligands of ERα, ERβ, and PPARγ: The case of halogenated bisphenol A and their conjugated metabolites
-
Riu, A., le Maire, A., Grimaldi, M., Audebert, M., Hillenweck, A., Bourguet, W., Balaguer, P., and Zalko, D. (2011) Characterization of novel ligands of ERα, ERβ, and PPARγ: the case of halogenated bisphenol A and their conjugated metabolites. Toxicol. Sci. 122, 372-382.
-
(2011)
Toxicol. Sci.
, vol.122
, pp. 372-382
-
-
Riu, A.1
Le Maire, A.2
Grimaldi, M.3
Audebert, M.4
Hillenweck, A.5
Bourguet, W.6
Balaguer, P.7
Zalko, D.8
-
13
-
-
0037077233
-
Interaction of transcriptional intermediary factor 2 nuclear receptor box peptides with the coactivator binding site of estrogen receptor α
-
Wärnmark, A., Treuter, E., Gustafsson, J. A˚., Hubbard, R. E., Brzozowski, A. M., and Pike, A. C. W. (2002) Interaction of transcriptional intermediary factor 2 nuclear receptor box peptides with the coactivator binding site of estrogen receptor α. J. Biol. Chem. 277, 21862-21868.
-
(2002)
J. Biol. Chem.
, vol.277
, pp. 21862-21868
-
-
Wärnmark, A.1
Treuter, E.2
Gustafsson, J.A.3
Hubbard, R.E.4
Brzozowski, A.M.5
Pike, A.C.W.6
-
14
-
-
0031552362
-
Development and validation of a genetic algorithm for flexible docking
-
Jones, G., Willett, P., Glen, R. C., Leach, A. R., and Taylor, R. (1997) Development and validation of a genetic algorithm for flexible docking. J. Mol. Biol. 267, 22-22.
-
(1997)
J. Mol. Biol.
, vol.267
, pp. 22-22
-
-
Jones, G.1
Willett, P.2
Glen, R.C.3
Leach, A.R.4
Taylor, R.5
-
15
-
-
74549178560
-
MolProbity: All-atom structure validation for macromolecular crystallography
-
Chen, V. B., Arendall, W. B., Headd, J. J., Keedy, D. A., Immormino, R. M., Kapral, G. J., Murray, L. W., Richardson, J. S., and Richardson, D. C. (2010) MolProbity: all-atom structure validation for macromolecular crystallography. Acta Crystallogr. Sect. D: Biol. Crystallogr. 66, 12-21.
-
(2010)
Acta Crystallogr. Sect. D: Biol. Crystallogr.
, vol.66
, pp. 12-21
-
-
Chen, V.B.1
Arendall, W.B.2
Headd, J.J.3
Keedy, D.A.4
Immormino, R.M.5
Kapral, G.J.6
Murray, L.W.7
Richardson, J.S.8
Richardson, D.C.9
-
16
-
-
0242663237
-
A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations
-
Duan, Y., Wu, C., Chowdhury, S., Lee, M. C., Xiong, G., Zhang, W., Yang, R., Cieplak, P., Luo, R., Lee, T., Caldwell, J., Wang, J., and Kollman, P. (2003) A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations. J. Comput. Chem. 24, 1999-2012.
-
(2003)
J. Comput. Chem.
, vol.24
, pp. 1999-2012
-
-
Duan, Y.1
Wu, C.2
Chowdhury, S.3
Lee, M.C.4
Xiong, G.5
Zhang, W.6
Yang, R.7
Cieplak, P.8
Luo, R.9
Lee, T.10
Caldwell, J.11
Wang, J.12
Kollman, P.13
-
17
-
-
79959999377
-
R.E.D. Server: A web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments
-
Vanquelef, E., Simon, S., Marquant, G., Garcia, E., Klimerak, G., Delepine, J. C., Cieplak, P., and Dupradeau, F. Y. (2011) R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments. Nucleic Acids Res. 39, W511-W517.
-
(2011)
Nucleic Acids Res.
, vol.39
, pp. W511-W517
-
-
Vanquelef, E.1
Simon, S.2
Marquant, G.3
Garcia, E.4
Klimerak, G.5
Delepine, J.C.6
Cieplak, P.7
Dupradeau, F.Y.8
-
18
-
-
78049265751
-
-
University of California, San Francisco
-
Case, D. A., Darden, T. A., Cheatham, T. E., III, Simmerling, C. L., Wang, J., Duke, R. E., Luo, R., Merz, K. M., Wang, B., Pearlman, D. A., Crowley, M., Brozell, S., Tsui, V., Gohlke, H., Mongan, V., Cui, G., Beroza, P., Schafmeister, C., Caldwell, J. W., Ross, W. S., and Kollman, P. A. (2010) AMBER 11, University of California, San Francisco.
-
(2010)
AMBER 11
-
-
Case, D.A.1
Darden, T.A.2
Cheatham, T.E.3
Simmerling, C.L.4
Wang, J.5
Duke, R.E.6
Luo, R.7
Merz, K.M.8
Wang, B.9
Pearlman, D.A.10
Crowley, M.11
Brozell, S.12
Tsui, V.13
Gohlke, H.14
Mongan, V.15
Cui, G.16
Beroza, P.17
Schafmeister, C.18
Caldwell, J.W.19
Ross, W.S.20
Kollman, P.A.21
more..
-
19
-
-
84867707720
-
Distinct mechanisms of endocrine disruption of DDT-related pesticides toward estrogen receptor α and estrogen-related receptor γ
-
Zhuang, S., Zhang, J., Wen, Y., Zhang, C., and Liu, W. (2012) Distinct mechanisms of endocrine disruption of DDT-related pesticides toward estrogen receptor α and estrogen-related receptor γ. Environ. Toxicol. Chem. 31, 2597-2605.
-
(2012)
Environ. Toxicol. Chem.
, vol.31
, pp. 2597-2605
-
-
Zhuang, S.1
Zhang, J.2
Wen, Y.3
Zhang, C.4
Liu, W.5
-
20
-
-
33646940952
-
Numerical integration of the cartesian equations of motion of a system with constraints: Molecular dynamics of n-alkanes
-
Jean-Paul, R., Giovanni, C., and Herman, J. C. B. (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.
-
(1977)
J. Comput. Phys.
, vol.23
, pp. 327-341
-
-
Jean-Paul, R.1
Giovanni, C.2
Herman, J.C.B.3
-
21
-
-
33846823909
-
Particle mesh Ewald: An N.Log(N) method for Ewald sums in large systems
-
Tom, D., Darrin, Y., and Pedersen, L. (1993) Particle mesh Ewald: An N.log(N) method for Ewald sums in large systems. J. Chem. Phys. 98, 10089-10092.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 10089-10092
-
-
Tom, D.1
Darrin, Y.2
Pedersen, L.3
-
22
-
-
79952588669
-
Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations
-
Hou, T., Wang, J., Li, Y., and Wang, W. (2011) Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations. J. Chem. Inf. Model. 51, 69-82.
-
(2011)
J. Chem. Inf. Model.
, vol.51
, pp. 69-82
-
-
Hou, T.1
Wang, J.2
Li, Y.3
Wang, W.4
-
23
-
-
1842479952
-
Exploring protein native states and large-scale conformational changes with a modified generalized born model
-
Onufriev, A., Bashford, D., and Case, D. A. (2004) Exploring protein native states and large-scale conformational changes with a modified generalized born model. J. Chem. Inf. Model. 55, 383-394.
-
(2004)
J. Chem. Inf. Model.
, vol.55
, pp. 383-394
-
-
Onufriev, A.1
Bashford, D.2
Case, D.A.3
-
24
-
-
79951996670
-
Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking
-
Hou, T., Wang, J., Li, Y., and Wang, W. (2011) Assessing the performance of the molecular mechanics/Poisson Boltzmann surface area and molecular mechanics/generalized Born surface area methods. II. The accuracy of ranking poses generated from docking. J. Comput. Chem. 32, 866-877.
-
(2011)
J. Comput. Chem.
, vol.32
, pp. 866-877
-
-
Hou, T.1
Wang, J.2
Li, Y.3
Wang, W.4
-
25
-
-
84880541805
-
Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge models
-
Xu, L., Sun, H., Li, Y., Wang, J., and Hou, T. (2013) Assessing the performance of MM/PBSA and MM/GBSA methods. 3. The impact of force fields and ligand charge models. J. Phys. Chem. B 117, 8408-8421.
-
(2013)
J. Phys. Chem. B
, vol.117
, pp. 8408-8421
-
-
Xu, L.1
Sun, H.2
Li, Y.3
Wang, J.4
Hou, T.5
-
26
-
-
77955685634
-
Estrogenic activity of anthraquinone derivatives: In vitro and in silico studies
-
Li, F., Li, X., Shao, J., Chi, P., Chen, J., and Wang, Z. (2010) Estrogenic activity of anthraquinone derivatives: in vitro and in silico studies. Chem. Res. Toxicol. 23, 1349-1355.
-
(2010)
Chem. Res. Toxicol.
, vol.23
, pp. 1349-1355
-
-
Li, F.1
Li, X.2
Shao, J.3
Chi, P.4
Chen, J.5
Wang, Z.6
-
27
-
-
77951803637
-
Quantum chemical and kinetic study on dioxin formation from the 2,4,6-TCP and 2,4-DCP precursors
-
Qingzhu, Z., Wanni, Y., Ruixue, Z., Qin, Z., Rui, G., and Wenxing, W. (2010) Quantum chemical and kinetic study on dioxin formation from the 2,4,6-TCP and 2,4-DCP precursors. Environ. Sci. Technol. 44, 3395-3403.
-
(2010)
Environ. Sci. Technol.
, vol.44
, pp. 3395-3403
-
-
Qingzhu, Z.1
Wanni, Y.2
Ruixue, Z.3
Qin, Z.4
Rui, G.5
Wenxing, W.6
-
28
-
-
79957851357
-
Quantum chemical investigation on the mechanism and kinetics of PBDE photooxidation by ·OH: A case study for BDE-15
-
Zhou, J., Chen, J., Liang, C. H., Xie, Q., Wang, Y. N., Zhang, S., Qiao, X., and Li, X. (2011) Quantum chemical investigation on the mechanism and kinetics of PBDE photooxidation by ·OH: a case study for BDE-15. Environ. Sci. Technol. 45, 4839-4845.
-
(2011)
Environ. Sci. Technol.
, vol.45
, pp. 4839-4845
-
-
Zhou, J.1
Chen, J.2
Liang, C.H.3
Xie, Q.4
Wang, Y.N.5
Zhang, S.6
Qiao, X.7
Li, X.8
-
29
-
-
84890577656
-
Thermochemical factors affecting the dehalogenation of aromatics
-
Sadowsky, D., McNeill, K., and Cramer, C. J. (2013) Thermochemical factors affecting the dehalogenation of aromatics. Environ. Sci. Technol. 47, 14194-14203.
-
(2013)
Environ. Sci. Technol.
, vol.47
, pp. 14194-14203
-
-
Sadowsky, D.1
McNeill, K.2
Cramer, C.J.3
-
30
-
-
67949103700
-
DFT study on the bromination pattern dependence of electronic properties and their validity in quantitative structure-activity relationships of polybrominated diphenyl ethers
-
Gu, C. G., Ju, X. H., Jiang, X., Wang, F., Yang, S. G., and Sun, C. (2009) DFT study on the bromination pattern dependence of electronic properties and their validity in quantitative structure-activity relationships of polybrominated diphenyl ethers. SAR QSAR Environ. Res. 20, 287-307.
-
(2009)
SAR QSAR Environ. Res.
, vol.20
, pp. 287-307
-
-
Gu, C.G.1
Ju, X.H.2
Jiang, X.3
Wang, F.4
Yang, S.G.5
Sun, C.6
-
31
-
-
20244385577
-
Comparative study of the endocrine-disrupting activity of bisphenol A and 19 related compounds
-
Kitamura, S., Suzuki, T., Sanoh, S., Kohta, R., Jinno, N., Sugihara, K., Yoshihara, S., Fujimoto, N., Watanabe, H., and Ohta, S. (2005) Comparative study of the endocrine-disrupting activity of bisphenol A and 19 related compounds. Toxicol. Sci. 84, 249-259.
-
(2005)
Toxicol. Sci.
, vol.84
, pp. 249-259
-
-
Kitamura, S.1
Suzuki, T.2
Sanoh, S.3
Kohta, R.4
Jinno, N.5
Sugihara, K.6
Yoshihara, S.7
Fujimoto, N.8
Watanabe, H.9
Ohta, S.10
-
32
-
-
77951671110
-
Bromination pattern of hydroxylated metabolites of BDE-47 affects their potency to release calcium from intracellular stores in PC12 cells
-
Dingemans, M. M., Heusinkveld, H. J., Bergman, A., van den Berg, M., and Westerink, R. H. (2010) Bromination pattern of hydroxylated metabolites of BDE-47 affects their potency to release calcium from intracellular stores in PC12 cells. Environ. Health Perspect. 118, 519-525.
-
(2010)
Environ. Health Perspect.
, vol.118
, pp. 519-525
-
-
Dingemans, M.M.1
Heusinkveld, H.J.2
Bergman, A.3
Van Den Berg, M.4
Westerink, R.H.5
-
33
-
-
33846687108
-
An overview of halogen bonding
-
Politzer, P., Lane, P., Concha, M., Ma, Y., and Murray, J. (2007) An overview of halogen bonding. J. Mol. Model. 13, 305-311.
-
(2007)
J. Mol. Model.
, vol.13
, pp. 305-311
-
-
Politzer, P.1
Lane, P.2
Concha, M.3
Ma, Y.4
Murray, J.5
-
34
-
-
84859181463
-
The σ-hole phenomenon of halogen atoms forms the structural basis of the strong inhibitory potency of C5 halogen substituted glucopyranosyl nucleosides towards glycogen phosphorylase b
-
Kantsadi, A. L., Hayes, J. M., Manta, S., Skamnaki, V. T., Kiritsis, C., Psarra, A. M., Koutsogiannis, Z., Dimopoulou, A., Theofanous, S., Nikoleousakos, N., Zoumpoulakis, P., Kontou, M., Papadopoulos, G., Zographos, S. E., Komiotis, D., and Leonidas, D. D. (2012) The σ-hole phenomenon of halogen atoms forms the structural basis of the strong inhibitory potency of C5 halogen substituted glucopyranosyl nucleosides towards glycogen phosphorylase b. ChemMedChem. 7, 722-732.
-
(2012)
ChemMedChem.
, vol.7
, pp. 722-732
-
-
Kantsadi, A.L.1
Hayes, J.M.2
Manta, S.3
Skamnaki, V.T.4
Kiritsis, C.5
Psarra, A.M.6
Koutsogiannis, Z.7
Dimopoulou, A.8
Theofanous, S.9
Nikoleousakos, N.10
Zoumpoulakis, P.11
Kontou, M.12
Papadopoulos, G.13
Zographos, S.E.14
Komiotis, D.15
Leonidas, D.D.16
-
35
-
-
84860447819
-
Compound lipophilicity as a descriptor to predict binding affinity (1/K(m)) in mammals
-
Pirovano, A., Huijbregts, M. A., Ragas, A., and Hendriks, J. (2012) Compound lipophilicity as a descriptor to predict binding affinity (1/K(m)) in mammals. Environ. Sci. Technol. 46, 5168-5174.
-
(2012)
Environ. Sci. Technol.
, vol.46
, pp. 5168-5174
-
-
Pirovano, A.1
Huijbregts, M.A.2
Ragas, A.3
Hendriks, J.4
-
36
-
-
27344459398
-
Virtual computational chemistry laboratory - Design and description
-
Tetko, I. V., Gasteiger, J., Todeschini, R., Mauri, A., Livingstone, D., Ertl, P., Palyulin, V. A., Radchenko, E. V., Zefirov, N. S., Makarenko, A. S., Tanchuk, V. Y., and Prokopenko, V. V. (2005) Virtual computational chemistry laboratory - design and description. J. Comput.-Aided Mol. Des. 19, 453-463.
-
(2005)
J. Comput.-Aided Mol. Des.
, vol.19
, pp. 453-463
-
-
Tetko, I.V.1
Gasteiger, J.2
Todeschini, R.3
Mauri, A.4
Livingstone, D.5
Ertl, P.6
Palyulin, V.A.7
Radchenko, E.V.8
Zefirov, N.S.9
Makarenko, A.S.10
Tanchuk, V.Y.11
Prokopenko, V.V.12
-
37
-
-
77951758435
-
Hormone activity of hydroxylated polybrominated diphenyl ethers on human thyroid receptor-beta: In vitro and in silico investigations
-
Li, F., Xie, Q., Li, X., Li, N., Chi, P., Chen, J., Wang, Z., and Hao, C. (2010) Hormone activity of hydroxylated polybrominated diphenyl ethers on human thyroid receptor-beta: in vitro and in silico investigations. Environ. Health Perspect. 118, 602-606.
-
(2010)
Environ. Health Perspect.
, vol.118
, pp. 602-606
-
-
Li, F.1
Xie, Q.2
Li, X.3
Li, N.4
Chi, P.5
Chen, J.6
Wang, Z.7
Hao, C.8
-
38
-
-
58149101957
-
Crystal structure of the peroxisome proliferator-activated receptor gamma (PPARgamma) ligand binding domain complexed with a novel partial agonist: A new region of the hydrophobic pocket could be exploited for drug design
-
Montanari, R., Saccoccia, F., Scotti, E., Crestani, M., Godio, C., Gilardi, F., Loiodice, F., Fracchiolla, G., Laghezza, A., Tortorella, P., Lavecchia, A., Novellino, E., Mazza, F., Aschi, M., and Pochetti, G. (2008) Crystal structure of the peroxisome proliferator-activated receptor gamma (PPARgamma) ligand binding domain complexed with a novel partial agonist: a new region of the hydrophobic pocket could be exploited for drug design. J. Med. Chem. 51, 7768-7776.
-
(2008)
J. Med. Chem.
, vol.51
, pp. 7768-7776
-
-
Montanari, R.1
Saccoccia, F.2
Scotti, E.3
Crestani, M.4
Godio, C.5
Gilardi, F.6
Loiodice, F.7
Fracchiolla, G.8
Laghezza, A.9
Tortorella, P.10
Lavecchia, A.11
Novellino, E.12
Mazza, F.13
Aschi, M.14
Pochetti, G.15
-
39
-
-
34547661571
-
Peroxisome proliferator-activated receptor structures: Ligand specificity, molecular switch and interactions with regulators
-
Zoete, V., Grosdidier, A., and Michielin, O. (2007) Peroxisome proliferator-activated receptor structures: ligand specificity, molecular switch and interactions with regulators. Biochim. Biophys. Acta, Mol. Cell Biol. Lipids 1771, 915-925.
-
(2007)
Biochim. Biophys. Acta, Mol. Cell Biol. Lipids
, vol.1771
, pp. 915-925
-
-
Zoete, V.1
Grosdidier, A.2
Michielin, O.3
-
40
-
-
57449086143
-
Exploring interactions of endocrine-disrupting compounds with different conformations of the human estrogen receptor alpha ligand binding domain: A molecular docking study
-
Celik, L., Davey, J., Lund, D., and Schiøtt, B. (2008) Exploring interactions of endocrine-disrupting compounds with different conformations of the human estrogen receptor alpha ligand binding domain: a molecular docking study. Chem. Res. Toxicol. 21, 2195-2206.
-
(2008)
Chem. Res. Toxicol.
, vol.21
, pp. 2195-2206
-
-
Celik, L.1
Davey, J.2
Lund, D.3
Schiøtt, B.4
-
41
-
-
77951144249
-
Molecular docking and comparative molecular similarity indices analysis of estrogenicity of polybrominated diphenyl ethers and their analogues
-
Yang, W., Liu, X., Liu, H., Wu, Y., Giesy, J. P., and Yu, H. (2010) Molecular docking and comparative molecular similarity indices analysis of estrogenicity of polybrominated diphenyl ethers and their analogues. Environ. Toxicol. Chem. 29, 660-668.
-
(2010)
Environ. Toxicol. Chem.
, vol.29
, pp. 660-668
-
-
Yang, W.1
Liu, X.2
Liu, H.3
Wu, Y.4
Giesy, J.P.5
Yu, H.6
-
42
-
-
77956802432
-
Bisphenol AF is a full agonist for the estrogen receptor ERalpha but a highly specific antagonist for ERbeta
-
Matsushima, A., Liu, X., Okada, H., Shimohigashi, M., and Shimohigashi, Y. (2010) Bisphenol AF is a full agonist for the estrogen receptor ERalpha but a highly specific antagonist for ERbeta. Environ. Health Perspect. 118, 1267-1272.
-
(2010)
Environ. Health Perspect.
, vol.118
, pp. 1267-1272
-
-
Matsushima, A.1
Liu, X.2
Okada, H.3
Shimohigashi, M.4
Shimohigashi, Y.5
-
43
-
-
72049132360
-
In vitro profiling of endocrine disrupting effects of phenols
-
Li, J., Ma, M., and Wang, Z. (2010) In vitro profiling of endocrine disrupting effects of phenols. Toxicol. In Vitro 24, 201-207.
-
(2010)
Toxicol. In Vitro
, vol.24
, pp. 201-207
-
-
Li, J.1
Ma, M.2
Wang, Z.3
-
44
-
-
84877829614
-
Structure-dependent activities of hydroxylated polybrominated diphenyl ethers on human estrogen receptor
-
Li, X., Gao, Y., Guo, L. H., and Jiang, G. (2013) Structure-dependent activities of hydroxylated polybrominated diphenyl ethers on human estrogen receptor. Toxicology 309, 15-22.
-
(2013)
Toxicology
, vol.309
, pp. 15-22
-
-
Li, X.1
Gao, Y.2
Guo, L.H.3
Jiang, G.4
-
45
-
-
78651482291
-
Endocrine disrupting chemicals targeting estrogen receptor signaling: Identification and mechanisms of action
-
Shanle, E. K., and Xu, W. (2011) Endocrine disrupting chemicals targeting estrogen receptor signaling: identification and mechanisms of action. Chem. Res. Toxicol. 24, 6-19.
-
(2011)
Chem. Res. Toxicol.
, vol.24
, pp. 6-19
-
-
Shanle, E.K.1
Xu, W.2
-
46
-
-
78651371133
-
Role of pocket flexibility in the modulation of estrogen receptor alpha by key residue arginine 394
-
Mu, Y., Peng, S., Zhang, A., and Wang, L. (2011) Role of pocket flexibility in the modulation of estrogen receptor alpha by key residue arginine 394. Environ. Toxicol. Chem. 30, 330-336.
-
(2011)
Environ. Toxicol. Chem.
, vol.30
, pp. 330-336
-
-
Mu, Y.1
Peng, S.2
Zhang, A.3
Wang, L.4
-
47
-
-
78349240376
-
Phenotypic effects of Ehlers-Danlos syndrome-associated mutation on the FnIII domain of tenascin-X
-
Zhuang, S., Linhananta, A., and Li, H. (2010) Phenotypic effects of Ehlers-Danlos syndrome-associated mutation on the FnIII domain of tenascin-X. Protein Sci. 19, 2231-2239.
-
(2010)
Protein Sci.
, vol.19
, pp. 2231-2239
-
-
Zhuang, S.1
Linhananta, A.2
Li, H.3
-
48
-
-
13444265957
-
Exploring the binding site structure of the PPAR gamma ligand-binding domain by computational solvent mapping
-
Sheu, S. H., Kaya, T., Waxman, D. J., and Vajda, S. (2005) Exploring the binding site structure of the PPAR gamma ligand-binding domain by computational solvent mapping. Biochemistry 44, 1193-1209.
-
(2005)
Biochemistry
, vol.44
, pp. 1193-1209
-
-
Sheu, S.H.1
Kaya, T.2
Waxman, D.J.3
Vajda, S.4
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