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Journal Abstract Search

197 related items for PubMed ID: 22713102

  • 1. Molecular docking and 3D-QSAR studies on inhibitors of DNA damage signaling enzyme human PARP-1.
    Fatima S, Bathini R, Sivan SK, Manga V.
    J Recept Signal Transduct Res; 2012 Aug; 32(4):214-24. PubMed ID: 22713102
    [Abstract] [Full Text] [Related]

  • 2. Molecular modeling studies on benzimidazole carboxamide derivatives as PARP-1 inhibitors using 3D-QSAR and docking.
    Zeng H, Zhang H, Jang F, Zhao L, Zhang J.
    Chem Biol Drug Des; 2011 Sep; 78(3):333-52. PubMed ID: 21585709
    [Abstract] [Full Text] [Related]

  • 3. Multiple receptor conformation docking, dock pose clustering and 3D QSAR studies on human poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors.
    Fatima S, Jatavath MB, Bathini R, Sivan SK, Manga V.
    J Recept Signal Transduct Res; 2014 Oct; 34(5):417-30. PubMed ID: 25046176
    [Abstract] [Full Text] [Related]

  • 4. Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation.
    Halder AK, Saha A, Saha KD, Jha T.
    J Biomol Struct Dyn; 2015 Oct; 33(8):1756-79. PubMed ID: 25350685
    [Abstract] [Full Text] [Related]

  • 5. Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) of thiazolone derivatives as hepatitis C virus NS5B polymerase allosteric inhibitors.
    Lei B, Du J, Li S, Liu H, Ren Y, Yao X.
    J Comput Aided Mol Des; 2008 Oct; 22(10):711-25. PubMed ID: 18716715
    [Abstract] [Full Text] [Related]

  • 6. 3D-QSAR studies of farnesyltransferase inhibitors: a comparative molecular field analysis approach.
    Puntambekar D, Giridhar R, Yadav MR.
    Bioorg Med Chem Lett; 2006 Apr 01; 16(7):1821-7. PubMed ID: 16455255
    [Abstract] [Full Text] [Related]

  • 7. 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 Apr 01; 46(6):2579-90. PubMed ID: 17125198
    [Abstract] [Full Text] [Related]

  • 8. 3D-QSAR and molecular docking studies of 2-pyrimidinecarbonitrile derivatives as inhibitors against falcipain-3.
    Potshangbam AM, Tanneeru K, Reddy BM, Guruprasad L.
    Bioorg Med Chem Lett; 2011 Dec 01; 21(23):7219-23. PubMed ID: 22018459
    [Abstract] [Full Text] [Related]

  • 9. 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 26; 49(2):475-89. PubMed ID: 16420035
    [Abstract] [Full Text] [Related]

  • 10. Combined 2D and 3D-QSAR, molecular modelling and docking studies of pyrazolodiazepinones as novel phosphodiesterase 2 inhibitors.
    Bhansali SG, Kulkarni VM.
    SAR QSAR Environ Res; 2014 Jan 26; 25(11):905-37. PubMed ID: 25401514
    [Abstract] [Full Text] [Related]

  • 11. 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 26; 44(4):1486-99. PubMed ID: 18771818
    [Abstract] [Full Text] [Related]

  • 12. Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis.
    Costantino G, Macchiarulo A, Camaioni E, Pellicciari R.
    J Med Chem; 2001 Nov 08; 44(23):3786-94. PubMed ID: 11689065
    [Abstract] [Full Text] [Related]

  • 13. 3D-QSAR Studies on Barbituric Acid Derivatives as Urease Inhibitors and the Effect of Charges on the Quality of a Model.
    Ul-Haq Z, Ashraf S, Al-Majid AM, Barakat A.
    Int J Mol Sci; 2016 Apr 30; 17(5):. PubMed ID: 27144563
    [Abstract] [Full Text] [Related]

  • 14. Structure based 3D-QSAR studies of Interleukin-2 inhibitors: Comparing the quality and predictivity of 3D-QSAR models obtained from different alignment methods and charge calculations.
    Halim SA, Zaheer-ul-Haq.
    Chem Biol Interact; 2015 Aug 05; 238():9-24. PubMed ID: 26051521
    [Abstract] [Full Text] [Related]

  • 15. Computational Analysis of CRTh2 receptor antagonist: A Ligand-based CoMFA and CoMSIA approach.
    Babu S, Sohn H, Madhavan T.
    Comput Biol Chem; 2015 Jun 05; 56():109-21. PubMed ID: 25935115
    [Abstract] [Full Text] [Related]

  • 16. 3D-QSAR and molecular docking studies on pyrazolopyrimidine derivatives as glycogen synthase kinase-3beta inhibitors.
    Dessalew N, Patel DS, Bharatam PV.
    J Mol Graph Model; 2007 Mar 05; 25(6):885-95. PubMed ID: 17018257
    [Abstract] [Full Text] [Related]

  • 17. [Construction of pharmacophore model of PARP-1 inhibitor].
    Zhang WT, Yan H, Jiang FC.
    Yao Xue Xue Bao; 2007 Mar 05; 42(3):279-85. PubMed ID: 17520827
    [Abstract] [Full Text] [Related]

  • 18. 3D QSAR pharmacophore, CoMFA and CoMSIA based design and docking studies on phenyl alkyl ketones as inhibitors of phosphodiesterase 4.
    Gaurav A, Singh R.
    Med Chem; 2012 Sep 05; 8(5):894-912. PubMed ID: 22741782
    [Abstract] [Full Text] [Related]

  • 19. Identification of the Structural Features of Guanine Derivatives as MGMT Inhibitors Using 3D-QSAR Modeling Combined with Molecular Docking.
    Sun G, Fan T, Zhang N, Ren T, Zhao L, Zhong R.
    Molecules; 2016 Jun 23; 21(7):. PubMed ID: 27347909
    [Abstract] [Full Text] [Related]

  • 20. Mapping the binding site of a large set of quinazoline type EGF-R inhibitors using molecular field analyses and molecular docking studies.
    Hou T, Zhu L, Chen L, Xu X.
    J Chem Inf Comput Sci; 2003 Jun 23; 43(1):273-87. PubMed ID: 12546563
    [Abstract] [Full Text] [Related]

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