BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

127 related articles for article (PubMed ID: 20006384)

  • 1. Improved 3D-QSAR analyzes for the predictive toxicology of polybrominated diphenyl ethers with CoMFA/CoMSIA and DFT.
    Gu C; Ju X; Jiang X; Yu K; Yang S; Sun C
    Ecotoxicol Environ Saf; 2010 Sep; 73(6):1470-9. PubMed ID: 20006384
    [TBL] [Abstract][Full Text] [Related]  

  • 2. DFT study on the bromination pattern dependence of electronic properties and their validity in quantitative structure-activity relationships of polybrominated diphenyl ethers.
    Gu CG; Ju XH; Jiang X; Wang F; Yang SG; Sun C
    SAR QSAR Environ Res; 2009; 20(3-4):287-307. PubMed ID: 19544193
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Predictive insight into the relationship between AhR binding property and toxicity of polybrominated diphenyl ethers by PLS-derived QSAR.
    Gu C; Goodarzi M; Yang X; Bian Y; Sun C; Jiang X
    Toxicol Lett; 2012 Feb; 208(3):269-74. PubMed ID: 22119921
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Anti-androgen activity of polybrominated diphenyl ethers determined by comparative molecular similarity indices and molecular docking.
    Yang W; Mu Y; Giesy JP; Zhang A; Yu H
    Chemosphere; 2009 May; 75(9):1159-64. PubMed ID: 19324393
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Analysis of Ah receptor binding affinities of polybrominated diphenyl ethers via in silico molecular docking and 3D-QSAR.
    Li X; Wang X; Shi W; Liu H; Yu H
    SAR QSAR Environ Res; 2013 Jan; 24(1):75-87. PubMed ID: 23121134
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Comprehensive binding analysis of polybrominated diphenyl ethers and aryl hydrocarbon receptor via an integrated molecular modeling approach.
    Xiao H; Mei N; Chi Q; Wang X
    Chemosphere; 2021 Jan; 262():128356. PubMed ID: 33182092
    [TBL] [Abstract][Full Text] [Related]  

  • 7. CoMFA and CoMSIA 3D QSAR analysis on N1-arylsulfonylindole compounds as 5-HT6 antagonists.
    Doddareddy MR; Cho YS; Koh HY; Pae AN
    Bioorg Med Chem; 2004 Aug; 12(15):3977-85. PubMed ID: 15246074
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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 JP; Yu H
    Environ Toxicol Chem; 2010 Mar; 29(3):660-8. PubMed ID: 20821492
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantitative structure-activity relationship for prediction of the toxicity of polybrominated diphenyl ether (PBDE) congeners.
    Wang Y; Zhao C; Ma W; Liu H; Wang T; Jiang G
    Chemosphere; 2006 Jul; 64(4):515-24. PubMed ID: 16406101
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Combined 3D-QSAR, molecular docking and molecular dynamics study on thyroid hormone activity of hydroxylated polybrominated diphenyl ethers to thyroid receptors β.
    Li X; Ye L; Wang X; Wang X; Liu H; Zhu Y; Yu H
    Toxicol Appl Pharmacol; 2012 Dec; 265(3):300-7. PubMed ID: 22982074
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Quantitative structure-activity relationship models for prediction of the toxicity of polybrominated diphenyl ether congeners.
    Wang Y; Liu H; Zhao C; Liu H; Cai Z; Jiang G
    Environ Sci Technol; 2005 Jul; 39(13):4961-6. PubMed ID: 16053097
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 3D QSAR studies on protein tyrosine phosphatase 1B inhibitors: comparison of the quality and predictivity among 3D QSAR models obtained from different conformer-based alignments.
    Pandey G; Saxena AK
    J Chem Inf Model; 2006; 46(6):2579-90. PubMed ID: 17125198
    [TBL] [Abstract][Full Text] [Related]  

  • 13. QSAR study of a large set of 3-pyridyl ethers as ligands of the alpha4beta2 nicotinic acetylcholine receptor.
    Zhang H; Li H; Ma Q
    J Mol Graph Model; 2007 Jul; 26(1):226-35. PubMed ID: 17208024
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Three-dimensional quantitative structure-activity relationship (3D-QSAR) analyses of choline acetyltransferase inhibitors.
    Chandrasekaran V; McGaughey GB; Cavallito CJ; Bowen JP
    J Mol Graph Model; 2004 Sep; 23(1):69-76. PubMed ID: 15331055
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid synthase inhibitors by integrating molecular docking, CoMFA, CoMSIA, and DFT calculations.
    He YZ; Li YX; Zhu XL; Xi Z; Niu C; Wan J; Zhang L; Yang GF
    J Chem Inf Model; 2007; 47(6):2335-44. PubMed ID: 17887745
    [TBL] [Abstract][Full Text] [Related]  

  • 16. DFT study on the structure-toxicity relationship of dioxin compounds using PLS analysis.
    Gu CG; Jiang X; Ju XH; Yang XL; Yu GF
    SAR QSAR Environ Res; 2007; 18(5-6):603-19. PubMed ID: 17654340
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 3D QSAR CoMFA/CoMSIA, molecular docking and molecular dynamics studies of fullerene-based HIV-1 PR inhibitors.
    Durdagi S; Mavromoustakos T; Papadopoulos MG
    Bioorg Med Chem Lett; 2008 Dec; 18(23):6283-9. PubMed ID: 18951793
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Insight into the structural requirements of urokinase-type plasminogen activator inhibitors based on 3D QSAR CoMFA/CoMSIA models.
    Bhongade BA; Gadad AK
    J Med Chem; 2006 Jan; 49(2):475-89. PubMed ID: 16420035
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes.
    da Cunha EF; Sippl W; de Castro Ramalho T; Ceva Antunes OA; de Alencastro RB; Albuquerque MG
    Eur J Med Chem; 2009 Nov; 44(11):4344-52. PubMed ID: 19616874
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Pharmacophore and docking-based combined in-silico study of KDR inhibitors.
    Pasha FA; Muddassar M; Neaz MM; Cho SJ
    J Mol Graph Model; 2009 Aug; 28(1):54-61. PubMed ID: 19447057
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.