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Journal Abstract Search

434 related items for PubMed ID: 17191945

  • 1. Application of 3D-QSAR in the rational design of receptor ligands and enzyme inhibitors.
    Mor M, Rivara S, Lodola A, Lorenzi S, Bordi F, Plazzi PV, Spadoni G, Bedini A, Duranti A, Tontini A, Tarzia G.
    Chem Biodivers; 2005 Nov; 2(11):1438-51. PubMed ID: 17191945
    [Abstract] [Full Text] [Related]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. 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
    [Abstract] [Full Text] [Related]

  • 4. 3D-QSAR studies of boron-containing dipeptides as proteasome inhibitors with CoMFA and CoMSIA methods.
    Zhu YQ, Lei M, Lu AJ, Zhao X, Yin XJ, Gao QZ.
    Eur J Med Chem; 2009 Apr; 44(4):1486-99. PubMed ID: 18771818
    [Abstract] [Full Text] [Related]

  • 5. 3D-QSAR with the aid of pharmacophore search and docking-based alignments for farnesyltransferase inhibitors.
    Vaidya M, Weigt M, Wiese M.
    Eur J Med Chem; 2009 Oct; 44(10):4070-82. PubMed ID: 19515462
    [Abstract] [Full Text] [Related]

  • 6. 3D-QSAR of histone deacetylase inhibitors: hydroxamate analogues.
    Juvale DC, Kulkarni VV, Deokar HS, Wagh NK, Padhye SB, Kulkarni VM.
    Org Biomol Chem; 2006 Aug 07; 4(15):2858-68. PubMed ID: 16855733
    [Abstract] [Full Text] [Related]

  • 7. Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions.
    Deng Z, Chuaqui C, Singh J.
    J Med Chem; 2004 Jan 15; 47(2):337-44. PubMed ID: 14711306
    [Abstract] [Full Text] [Related]

  • 8. 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 15; 48(9):1760-72. PubMed ID: 18717540
    [Abstract] [Full Text] [Related]

  • 9. Elucidating inhibitory models of the inhibitors of epidermal growth factor receptor by docking and 3D-QSAR.
    Chen G, Luo X, Zhu W, Luo C, Liu H, Puah CM, Chen K, Jiang H.
    Bioorg Med Chem; 2004 May 01; 12(9):2409-17. PubMed ID: 15080937
    [Abstract] [Full Text] [Related]

  • 10. Quantitative structure-based design: formalism and application of receptor-dependent RD-4D-QSAR analysis to a set of glucose analogue inhibitors of glycogen phosphorylase.
    Pan D, Tseng Y, Hopfinger AJ.
    J Chem Inf Comput Sci; 2003 May 01; 43(5):1591-607. PubMed ID: 14502494
    [Abstract] [Full Text] [Related]

  • 11. 3D QSAR selectivity analyses of carbonic anhydrase inhibitors: insights for the design of isozyme selective inhibitors.
    Weber A, Böhm M, Supuran CT, Scozzafava A, Sotriffer CA, Klebe G.
    J Chem Inf Model; 2006 May 01; 46(6):2737-60. PubMed ID: 17125213
    [Abstract] [Full Text] [Related]

  • 12. 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 May 01; 47(6):2335-44. PubMed ID: 17887745
    [Abstract] [Full Text] [Related]

  • 13. Three-dimensional quantitative structure-activity relationship studies on selected MT1 and MT2 melatonin receptor ligands: requirements for subtype selectivity and intrinsic activity modulation.
    Rivara S, Mor M, Silva C, Zuliani V, Vacondio F, Spadoni G, Bedini A, Tarzia G, Lucini V, Pannacci M, Fraschini F, Plazzi PV.
    J Med Chem; 2003 Apr 10; 46(8):1429-39. PubMed ID: 12672242
    [Abstract] [Full Text] [Related]

  • 14. Structural and chemical basis for enhanced affinity and potency for a large series of estrogen receptor ligands: 2D and 3D QSAR studies.
    Salum Lde B, Polikarpov I, Andricopulo AD.
    J Mol Graph Model; 2007 Sep 10; 26(2):434-42. PubMed ID: 17349808
    [Abstract] [Full Text] [Related]

  • 15. 3-D QSAR studies on histone deacetylase inhibitors. A GOLPE/GRID approach on different series of compounds.
    Ragno R, Simeoni S, Valente S, Massa S, Mai A.
    J Chem Inf Model; 2006 Sep 10; 46(3):1420-30. PubMed ID: 16711762
    [Abstract] [Full Text] [Related]

  • 16. Prediction of ligand-receptor binding thermodynamics by free energy force field three-dimensional quantitative structure-activity relationship analysis: applications to a set of glucose analogue inhibitors of glycogen phosphorylase.
    Venkatarangan P, Hopfinger AJ.
    J Med Chem; 1999 Jun 17; 42(12):2169-79. PubMed ID: 10377222
    [Abstract] [Full Text] [Related]

  • 17. 3D-QSAR and receptor modeling of tyrosine kinase inhibitors with flexible atom receptor model (FLARM).
    Peng T, Pei J, Zhou J.
    J Chem Inf Comput Sci; 2003 Jun 17; 43(1):298-303. PubMed ID: 12546565
    [Abstract] [Full Text] [Related]

  • 18. Application of 3D QSAR CoMFA/CoMSIA and in silico docking studies on novel renin inhibitors against cardiovascular diseases.
    Politi A, Durdagi S, Moutevelis-Minakakis P, Kokotos G, Papadopoulos MG, Mavromoustakos T.
    Eur J Med Chem; 2009 Sep 17; 44(9):3703-11. PubMed ID: 19410337
    [Abstract] [Full Text] [Related]

  • 19. Docking-based 3D-QSAR study for 11beta-HSD1 inhibitors.
    Lee JH, Kang NS, Yoo SE.
    Bioorg Med Chem Lett; 2008 Apr 01; 18(7):2479-90. PubMed ID: 18314331
    [Abstract] [Full Text] [Related]

  • 20. 3D-QSAR studies of HDACs inhibitors using pharmacophore-based alignment.
    Chen Y, Li H, Tang W, Zhu C, Jiang Y, Zou J, Yu Q, You Q.
    Eur J Med Chem; 2009 Jul 01; 44(7):2868-76. PubMed ID: 19136179
    [Abstract] [Full Text] [Related]

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