메뉴 건너뛰기




Volumn 41, Issue 1, 2001, Pages 186-195

QSAR Models Using a Large Diverse Set of Estrogens

Author keywords

[No Author keywords available]

Indexed keywords

ESTROGEN; ESTROGEN RECEPTOR;

EID: 18044382708     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci000066d     Document Type: Article
Times cited : (348)

References (39)
  • 2
    • 0031049261 scopus 로고    scopus 로고
    • Endocrine disruptors and reproductive development: A weight-of-evidence overview
    • Cooper, R. L.; Kavlock, R. J. Endocrine disruptors and reproductive development: a weight-of-evidence overview. J. Endocrinol. 1997, 152, 159-166.
    • (1997) J. Endocrinol. , vol.152 , pp. 159-166
    • Cooper, R.L.1    Kavlock, R.J.2
  • 3
    • 0028832564 scopus 로고
    • Environmental estrogens: Health implications for humans and wildlife. Environ
    • Colborn, T. Environmental estrogens: health implications for humans and wildlife. Environ. Health Perspect. 1995, 103, Suppl 7, 135-136.
    • (1995) Health Perspect. , vol.103 , Issue.7 SUPPL. , pp. 135-136
    • Colborn, T.1
  • 4
    • 0027428381 scopus 로고
    • Developmental effects of endocrine-disrupting chemicals in wildlife and humans
    • Colborn, T.; vom Saal, F. S.; Solo, A. M. Developmental effects of endocrine-disrupting chemicals in wildlife and humans [see comments]. Environ. Health Perspect. 1993, 101, 378-384.
    • (1993) Environ. Health Perspect. , vol.101 , pp. 378-384
    • Colborn, T.1    Vom Saal, F.S.2    Solo, A.M.3
  • 6
    • 0348047208 scopus 로고    scopus 로고
    • EDSTAC
    • EDSTAC. http://www.epa.gov/opptintr/opptendo/finalrpt.htm.
  • 7
    • 18044404184 scopus 로고    scopus 로고
    • An integrated "Four-Phase" approach for priority setting of endocrine disruptors - Part 1: Phase I and II for prediction of potential estrogenic endocrine disruptor
    • submitted for publication
    • Shi, L. M.; Tong, W.; Fang, H.; Perkins, R.; Wu, J.; Tu, M.; Blair, R.; Branham, W.; Waller, C.; Sheehan, D. An integrated "Four-Phase" approach for priority setting of endocrine disruptors - Part 1: Phase I and II for prediction of potential estrogenic endocrine disruptor. SAR QSAK Environ. Res. 2000. submitted for publication.
    • (2000) SAR QSAK Environ. Res.
    • Shi, L.M.1    Tong, W.2    Fang, H.3    Perkins, R.4    Wu, J.5    Tu, M.6    Blair, R.7    Branham, W.8    Waller, C.9    Sheehan, D.10
  • 8
    • 0031024171 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski, C. A.; Lombardo, F.; Dominy, B. W.; Feeney, P. J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 1997, 23, 3-25.
    • (1997) Adv. Drug Delivery Rev. , vol.23 , pp. 3-25
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 11
    • 0031410762 scopus 로고    scopus 로고
    • Quantitative structure - Activity relationships (QSARs) for estrogen binding to the estrogen receptor: Predictions across species
    • Tong, W.; Perkins, R.; Strelitz, R.; Collantes, E. R.; Keenan, S.; Welsh, W. J.; Branham, W. S.; Sheehan, D. M. Quantitative structure - activity relationships (QSARs) for estrogen binding to the estrogen receptor: predictions across species. Environ. Health Perspect. 1997, 105, 1116-1124.
    • (1997) Environ. Health Perspect. , vol.105 , pp. 1116-1124
    • Tong, W.1    Perkins, R.2    Strelitz, R.3    Collantes, E.R.4    Keenan, S.5    Welsh, W.J.6    Branham, W.S.7    Sheehan, D.M.8
  • 12
    • 0030795434 scopus 로고    scopus 로고
    • QSAR models for binding of estrogenic compounds to estrogen receptor alpha and beta subtypes
    • Tong, W.; Perkins, R.; Xing, L.; Welsh, W. J.; Sheehan, D. M. QSAR models for binding of estrogenic compounds to estrogen receptor alpha and beta subtypes. Endocrinology 1997, 138, 4022-4025.
    • (1997) Endocrinology , vol.138 , pp. 4022-4025
    • Tong, W.1    Perkins, R.2    Xing, L.3    Welsh, W.J.4    Sheehan, D.M.5
  • 13
    • 0032109698 scopus 로고    scopus 로고
    • Evaluation of quantitative structure - Activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor
    • Tong, W.; ,Lowis, D. R.; Perkins, R.; Chen, Y.; Welsh, W. J.; Goddette, D. W.; Heritage, T. W.; Sheehan, D. M. Evaluation of quantitative structure - activity relationship methods for large-scale prediction of chemicals binding to the estrogen receptor. J. Chem. Inf. Comput. Sci. 1998, 38, 669-677.
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 669-677
    • Tong, W.1    Lowis, D.R.2    Perkins, R.3    Chen, Y.4    Welsh, W.J.5    Goddette, D.W.6    Heritage, T.W.7    Sheehan, D.M.8
  • 14
    • 0029852782 scopus 로고    scopus 로고
    • Quantitative structure - Activity relationships for polychlorinated hydroxybiphenyl estrogen receptor binding affinity- An assessment of conformer flexibility
    • GT, A
    • Bradbury, S.; Mekenyan, O.; GT, A. Quantitative structure - activity relationships for polychlorinated hydroxybiphenyl estrogen receptor binding affinity- An assessment of conformer flexibility. Environ. Toxicol. Chem. 1996, 15, 1945-1954.
    • (1996) Environ. Toxicol. Chem. , vol.15 , pp. 1945-1954
    • Bradbury, S.1    Mekenyan, O.2
  • 16
    • 0030660115 scopus 로고    scopus 로고
    • Induction of the estrogen specific mitogenic response of MCF-7 cells by selected analogues of estradiol-17 β: A 3D QSAR study
    • Wiese, T. E.; Polin, L. A.; Palomino, E.; Brooks, S. C. Induction of the estrogen specific mitogenic response of MCF-7 cells by selected analogues of estradiol-17 β: a 3D QSAR study. J. Med. Chem. 1997. 40, 0, 3659-3669.
    • (1997) J. Med. Chem. , vol.40 , pp. 3659-3669
    • Wiese, T.E.1    Polin, L.A.2    Palomino, E.3    Brooks, S.C.4
  • 17
    • 0032612196 scopus 로고    scopus 로고
    • Comparison of estrogen receptor alpha and beta subtypes based on comparative molecular field analysis (CoMFA)
    • Xing, L.; Welsh, W. J.; Tong, W.; Perkins, R.; Sheehan, D. M. Comparison of estrogen receptor alpha and beta subtypes based on comparative molecular field analysis (CoMFA). SAR QSAR Environ. Res. 1999, 10, 215-237.
    • (1999) SAR QSAR Environ. Res. , vol.10 , pp. 215-237
    • Xing, L.1    Welsh, W.J.2    Tong, W.3    Perkins, R.4    Sheehan, D.M.5
  • 19
    • 0000378338 scopus 로고    scopus 로고
    • A novel variable selection QSAR approach based on the k-nearest neighbor principle
    • Zheng, W.; Tropsha, A. A novel variable selection QSAR approach based on the k-nearest neighbor principle. J. Chem. Inf. Comput. Sci. 2000, 40, 185-194.
    • (2000) J. Chem. Inf. Comput. Sci. , vol.40 , pp. 185-194
    • Zheng, W.1    Tropsha, A.2
  • 24
    • 0031804204 scopus 로고    scopus 로고
    • Identification and assessment of endocrine disruptors: Limitations of in vivo and in vitro assays
    • Zacharewski, T. Identification and assessment of endocrine disruptors: limitations of in vivo and in vitro assays. Environ. Health Perspect. 1998, 106, Suppl 2, 577-582.
    • (1998) Environ. Health Perspect. , vol.106 , Issue.2 SUPPL. , pp. 577-582
    • Zacharewski, T.1
  • 27
    • 0032446607 scopus 로고    scopus 로고
    • The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen
    • Shiau, A. K.; Barstad, D.; Loria, P. M.; Cheng, L.; Kushner, P. J.; Agard, D. A.; Greene, G. L. The structural basis of estrogen receptor/coactivator recognition and the antagonism of this interaction by tamoxifen. Cell 1998, 95, 927-937.
    • (1998) Cell , vol.95 , pp. 927-937
    • Shiau, A.K.1    Barstad, D.2    Loria, P.M.3    Cheng, L.4    Kushner, P.J.5    Agard, D.A.6    Greene, G.L.7
  • 29
    • 0031059270 scopus 로고    scopus 로고
    • The estradiol pharmacophore: Ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site
    • Anstead, G. M.; Carlson, K. E.; Katzenellenbogen, J. A. The estradiol pharmacophore: ligand structure-estrogen receptor binding affinity relationships and a model for the receptor binding site. Steroids 1997, 62, 268-303.
    • (1997) Steroids , vol.62 , pp. 268-303
    • Anstead, G.M.1    Carlson, K.E.2    Katzenellenbogen, J.A.3
  • 30
    • 0018068508 scopus 로고
    • New Biospecific adsorbents for the purification of estradiol receptor
    • Bucourt, R.; Vignau, M.; Torelli, V. New Biospecific adsorbents for the purification of estradiol receptor. J. Biol. Chem. 1978, 253, 8221-8228.
    • (1978) J. Biol. Chem. , vol.253 , pp. 8221-8228
    • Bucourt, R.1    Vignau, M.2    Torelli, V.3
  • 32
    • 84987100711 scopus 로고
    • Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies
    • Cramer, R. D. I.; Bunce, J. D.; Patterson, D. E. Crossvalidation, bootstrapping, and partial least squares compared with multiple regression in conventional QSAR studies. QSAR 1988, 7, 18-25.
    • (1988) QSAR , vol.7 , pp. 18-25
    • Cramer, R.D.I.1    Bunce, J.D.2    Patterson, D.E.3
  • 33
    • 0023751431 scopus 로고
    • Comparative molecular field analysis (CoMFA). I. Effect of shape on binding of steroids to carrier proteins
    • Cramer, R. D.; Patterson, D. E.; Bunce, J. D. Comparative molecular field analysis (CoMFA). I. Effect of shape on binding of steroids to carrier proteins. J. Am. Chem. Soc. 1988, 110, 5959-5967.
    • (1988) J. Am. Chem. Soc. , vol.110 , pp. 5959-5967
    • Cramer, R.D.1    Patterson, D.E.2    Bunce, J.D.3
  • 34
    • 0029655006 scopus 로고
    • 2-guided region selection for comparative molecular field analysis: A simple method to achieve consistent results
    • 2-guided region selection for comparative molecular field analysis: a simple method to achieve consistent results. J. Med. Chem. 1995, 38, 1060-1066.
    • (1995) J. Med. Chem. , vol.38 , pp. 1060-1066
    • Cho, S.J.1    Tropsha, A.2
  • 35
    • 0000120265 scopus 로고    scopus 로고
    • All orientation search and all-placement search in Comparative Molecular Field Analysis
    • Wang, R.; Gao, Y.; Lin, L.; Lai, L. All orientation search and all-placement search in Comparative Molecular Field Analysis. J. Mol. Model. 1998, 4, 276-283.
    • (1998) J. Mol. Model. , vol.4 , pp. 276-283
    • Wang, R.1    Gao, Y.2    Lin, L.3    Lai, L.4
  • 36
    • 0030054277 scopus 로고    scopus 로고
    • A comparative molecular field analysis study of N-benzylpiperidines as acetylcholinesterase inhibitors
    • Tong, W.; Collantes, E. R.; Chen, Y.; Welsh, W. J. A comparative molecular field analysis study of N-benzylpiperidines as acetylcholinesterase inhibitors. J. Med. Chem. 1996, 39, 380-387.
    • (1996) J. Med. Chem. , vol.39 , pp. 380-387
    • Tong, W.1    Collantes, E.R.2    Chen, Y.3    Welsh, W.J.4
  • 37
    • 0032561388 scopus 로고    scopus 로고
    • Derivation of a pharmacophore model for anandamide using constrained conformational searching and comparative molecular field analysis
    • Tong, W.; Collantes, E. R.; Welsh, W. J.; Berglund, B. A.; Howlett, A. C. Derivation of a pharmacophore model for anandamide using constrained conformational searching and comparative molecular field analysis. J. Med. Chem. 1998, 41, 4207-4215.
    • (1998) J. Med. Chem. , vol.41 , pp. 4207-4215
    • Tong, W.1    Collantes, E.R.2    Welsh, W.J.3    Berglund, B.A.4    Howlett, A.C.5
  • 38
    • 0002438676 scopus 로고    scopus 로고
    • Enthalpies of sublimation and formation of polycyclic aromatic hydrocarbons (PAHs) derived from comparative molecular field analysis (CoMFA)-Application of moment of inertia for molecular alignment
    • Welsh, W. J.; Tong, W. D.; Collantes, E. R.; Chickos, J. S.; Gagarin, S. G. Enthalpies of sublimation and formation of polycyclic aromatic hydrocarbons (PAHs) derived from comparative molecular field analysis (CoMFA)-Application of moment of inertia for molecular alignment. Thermochim. Acta 1997, 290, 55-64.
    • (1997) Thermochim. Acta , vol.290 , pp. 55-64
    • Welsh, W.J.1    Tong, W.D.2    Collantes, E.R.3    Chickos, J.S.4    Gagarin, S.G.5
  • 39
    • 0002438676 scopus 로고    scopus 로고
    • Heats of sublimition and formation of polycyclic aromatic hydrocarbons (PAHs) derived from comparative molecular field analysis (CoMFA): Application of moment of inertia for molecular alignment
    • Welsh, W.; Tong, W.; Collantes, E. Heats of sublimition and formation of polycyclic aromatic hydrocarbons (PAHs) derived from comparative molecular field analysis (CoMFA): Application of moment of inertia for molecular alignment. Thermochim. Acta 1996, 290, 55-64.
    • (1996) Thermochim. Acta , vol.290 , pp. 55-64
    • Welsh, W.1    Tong, W.2    Collantes, E.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.