BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

166 related articles for article (PubMed ID: 15446843)

  • 1. Insights into phenylalanine derivatives recognition of VLA-4 integrin: from a pharmacophoric study to 3D-QSAR and molecular docking analyses.
    Macchiarulo A; Costantino G; Meniconi M; Pleban K; Ecker G; Bellocchi D; Pellicciari R
    J Chem Inf Comput Sci; 2004; 44(5):1829-39. PubMed ID: 15446843
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Molecular docking and 3D QSAR studies on 1-amino-2-phenyl-4-(piperidin-1-yl)-butanes based on the structural modeling of human CCR5 receptor.
    Xu Y; Liu H; Niu C; Luo C; Luo X; Shen J; Chen K; Jiang H
    Bioorg Med Chem; 2004 Dec; 12(23):6193-208. PubMed ID: 15519163
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A 3D structure model of integrin alpha 4 beta 1 complex: I. Construction of a homology model of beta 1 and ligand binding analysis.
    You TJ; Maxwell DS; Kogan TP; Chen Q; Li J; Kassir J; Holland GW; Dixon RA
    Biophys J; 2002 Jan; 82(1 Pt 1):447-57. PubMed ID: 11751331
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling.
    Zhang Q; Yang J; Liang K; Feng L; Li S; Wan J; Xu X; Yang G; Liu D; Yang S
    J Chem Inf Model; 2008 Sep; 48(9):1802-12. PubMed ID: 18707092
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Inhibition of eosinophilia in vivo by a small molecule inhibitor of very late antigen (VLA)-4.
    Okigami H; Takeshita K; Tajimi M; Komura H; Albers M; Lehmann TE; Rölle T; Bacon KB
    Eur J Pharmacol; 2007 Mar; 559(2-3):202-9. PubMed ID: 17234179
    [TBL] [Abstract][Full Text] [Related]  

  • 6. CoMFA and homology-based models of the glycine binding site of N-methyl-d-aspartate receptor.
    Tikhonova IG; Baskin II; Palyulin VA; Zefirov NS
    J Med Chem; 2003 Apr; 46(9):1609-16. PubMed ID: 12699379
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Combined 3D-QSAR modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1.
    AbdulHameed MD; Hamza A; Liu J; Zhan CG
    J Chem Inf Model; 2008 Sep; 48(9):1760-72. PubMed ID: 18717540
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.
    Wichapong K; Lindner M; Pianwanit S; Kokpol S; Sippl W
    Eur J Med Chem; 2009 Apr; 44(4):1383-95. PubMed ID: 18976834
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Molecular modeling of histamine H3 receptor and QSAR studies on arylbenzofuran derived H3 antagonists.
    Dastmalchi S; Hamzeh-Mivehroud M; Ghafourian T; Hamzeiy H
    J Mol Graph Model; 2008 Jan; 26(5):834-44. PubMed ID: 17561422
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Synthetic study of VLA-4/VCAM-1 inhibitors: synthesis and structure-activity relationship of piperazinylphenylalanine derivatives.
    Saku O; Ohta K; Arai E; Nomoto Y; Miura H; Nakamura H; Fuse E; Nakasato Y
    Bioorg Med Chem Lett; 2008 Feb; 18(3):1053-7. PubMed ID: 18160288
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Structure-based approach to pharmacophore identification, in silico screening, and three-dimensional quantitative structure-activity relationship studies for inhibitors of Trypanosoma cruzi dihydrofolate reductase function.
    Schormann N; Senkovich O; Walker K; Wright DL; Anderson AC; Rosowsky A; Ananthan S; Shinkre B; Velu S; Chattopadhyay D
    Proteins; 2008 Dec; 73(4):889-901. PubMed ID: 18536013
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Discovery of potential integrin VLA-4 antagonists using pharmacophore modeling, virtual screening and molecular docking studies.
    Thangapandian S; John S; Sakkiah S; Lee KW
    Chem Biol Drug Des; 2011 Aug; 78(2):289-300. PubMed ID: 21507205
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Linear and nonlinear 3D-QSAR approaches in tandem with ligand-based homology modeling as a computational strategy to depict the pyrazolo-triazolo-pyrimidine antagonists binding site of the human adenosine A2A receptor.
    Michielan L; Bacilieri M; Schiesaro A; Bolcato C; Pastorin G; Spalluto G; Cacciari B; Klotz KN; Kaseda C; Moro S
    J Chem Inf Model; 2008 Feb; 48(2):350-63. PubMed ID: 18215030
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantitative structure activity relationship studies of piperazinyl phenylalanine derivatives as VLA-4/VCAM-1 inhibitors.
    Bhargava D; Karthikeyan C; Moorthy NS; Trivedi P
    Med Chem; 2009 Sep; 5(5):446-54. PubMed ID: 19534682
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Modeling ligand-receptor interaction for some MHC class II HLA-DR4 peptide mimetic inhibitors using several molecular docking and 3D QSAR techniques.
    Wei HY; Tsai KC; Lin TH
    J Chem Inf Model; 2005; 45(5):1343-51. PubMed ID: 16180911
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Essential structural profile of a dual functional inhibitor against cyclooxygenase-2 (COX-2) and 5-lipoxygenase (5-LOX): molecular docking and 3D-QSAR analyses on DHDMBF analogues.
    Zheng M; Zhang Z; Zhu W; Liu H; Luo X; Chen K; Jiang H
    Bioorg Med Chem; 2006 May; 14(10):3428-37. PubMed ID: 16458008
    [TBL] [Abstract][Full Text] [Related]  

  • 17. CoMFA 3D-QSAR analysis of HIV-1 RT nonnucleoside inhibitors, TIBO derivatives based on docking conformation and alignment.
    Zhou Z; Madura JD
    J Chem Inf Comput Sci; 2004; 44(6):2167-78. PubMed ID: 15554687
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Pyridone derivatives as potent and selective VLA-4 integrin antagonists.
    Witherington J; Bordas V; Gaiba A; Green PM; Naylor A; Parr N; Smith DG; Takle AK; Ward RW
    Bioorg Med Chem Lett; 2006 Apr; 16(8):2256-9. PubMed ID: 16455247
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Exploration of a binding mode of benzothiazol-2-yl acetonitrile pyrimidine core based derivatives as potent c-Jun N-terminal kinase-3 inhibitors and 3D-QSAR analyses.
    Sharma P; Ghoshal N
    J Chem Inf Model; 2006; 46(4):1763-74. PubMed ID: 16859308
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Inhibitory mode of N-phenyl-4-pyrazolo[1,5-b] pyridazin-3-ylpyrimidin-2-amine series derivatives against GSK-3: molecular docking and 3D-QSAR analyses.
    Xiao J; Guo Z; Guo Y; Chu F; Sun P
    Protein Eng Des Sel; 2006 Feb; 19(2):47-54. PubMed ID: 16339768
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.