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Journal Abstract Search

211 related items for PubMed ID: 20524689

  • 1. Computational study on the interaction of N1 substituted pyrazole derivatives with B-raf kinase: an unusual water wire hydrogen-bond network and novel interactions at the entrance of the active site.
    Alzate-Morales JH, Vergara-Jaque A, Caballero J.
    J Chem Inf Model; 2010 Jun 28; 50(6):1101-12. PubMed ID: 20524689
    [Abstract] [Full Text] [Related]

  • 2. Investigation of the differences in activity between hydroxycycloalkyl N1 substituted pyrazole derivatives as inhibitors of B-Raf kinase by using docking, molecular dynamics, QM/MM, and fragment-based de novo design: study of binding mode of diastereomer compounds.
    Caballero J, Alzate-Morales JH, Vergara-Jaque A.
    J Chem Inf Model; 2011 Nov 28; 51(11):2920-31. PubMed ID: 22011048
    [Abstract] [Full Text] [Related]

  • 3. Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.
    Berger DM, Torres N, Dutia M, Powell D, Ciszewski G, Gopalsamy A, Levin JI, Kim KH, Xu W, Wilhelm J, Hu Y, Collins K, Feldberg L, Kim S, Frommer E, Wojciechowicz D, Mallon R.
    Bioorg Med Chem Lett; 2009 Dec 01; 19(23):6519-23. PubMed ID: 19864136
    [Abstract] [Full Text] [Related]

  • 4. Design, modification and 3D QSAR studies of novel 2,3-dihydrobenzo[b][1,4]dioxin-containing 4,5-dihydro-1H-pyrazole derivatives as inhibitors of B-Raf kinase.
    Yang YS, Li QS, Sun S, Zhang YB, Wang XL, Zhang F, Tang JF, Zhu HL.
    Bioorg Med Chem; 2012 Oct 15; 20(20):6048-58. PubMed ID: 22985962
    [Abstract] [Full Text] [Related]

  • 5. Discovery of highly potent and selective type I B-Raf kinase inhibitors.
    Wang X, Berger DM, Salaski EJ, Torres N, Hu Y, Levin JI, Powell D, Wojciechowicz D, Collins K, Frommer E.
    Bioorg Med Chem Lett; 2009 Dec 01; 19(23):6571-4. PubMed ID: 19854649
    [Abstract] [Full Text] [Related]

  • 6. Pyrazolopyridine inhibitors of B-Raf(V600E). Part 3: an increase in aqueous solubility via the disruption of crystal packing.
    Wenglowsky S, Moreno D, Rudolph J, Ran Y, Ahrendt KA, Arrigo A, Colson B, Gloor SL, Hastings G.
    Bioorg Med Chem Lett; 2012 Jan 15; 22(2):912-5. PubMed ID: 22209462
    [Abstract] [Full Text] [Related]

  • 7. Non-oxime inhibitors of B-Raf(V600E) kinase.
    Ren L, Wenglowsky S, Miknis G, Rast B, Buckmelter AJ, Ely RJ, Schlachter S, Laird ER, Randolph N, Callejo M, Martinson M, Galbraith S, Brandhuber BJ, Vigers G, Morales T, Voegtli WC, Lyssikatos J.
    Bioorg Med Chem Lett; 2011 Feb 15; 21(4):1243-7. PubMed ID: 21251822
    [Abstract] [Full Text] [Related]

  • 8. Insight into the structural features of pyrazolopyrimidine- and pyrazolopyridine-based B-Raf(V600E) kinase inhibitors by computational explorations.
    Li Y, Han C, Wang J, Yang Y, Zhang J, Zhang S, Yang L.
    Chem Biol Drug Des; 2014 Jun 15; 83(6):643-55. PubMed ID: 24373283
    [Abstract] [Full Text] [Related]

  • 9. 3D-QSAR CoMFA, CoMSIA studies on substituted ureas as Raf-1 kinase inhibitors and its confirmation with structure-based studies.
    Thaimattam R, Daga P, Rajjak SA, Banerjee R, Iqbal J.
    Bioorg Med Chem; 2004 Dec 15; 12(24):6415-25. PubMed ID: 15556759
    [Abstract] [Full Text] [Related]

  • 10. Molecular docking/dynamics studies of Aurora A kinase inhibitors.
    Talele TT, McLaughlin ML.
    J Mol Graph Model; 2008 Jun 15; 26(8):1213-22. PubMed ID: 18096419
    [Abstract] [Full Text] [Related]

  • 11. Discovery and optimization of N-acyl and N-aroylpyrazolines as B-Raf kinase inhibitors.
    Blackburn C, Duffey MO, Gould AE, Kulkarni B, Liu JX, Menon S, Nagayoshi M, Vos TJ, Williams J.
    Bioorg Med Chem Lett; 2010 Aug 15; 20(16):4795-9. PubMed ID: 20630752
    [Abstract] [Full Text] [Related]

  • 12. Discovery and optimization of pyrazoline compounds as B-Raf inhibitors.
    Duffey MO, Adams R, Blackburn C, Chau RW, Chen S, Galvin KM, Garcia K, Gould AE, Greenspan PD, Harrison S, Huang SC, Kim MS, Kulkarni B, Langston S, Liu JX, Ma LT, Menon S, Nagayoshi M, Rowland RS, Vos TJ, Xu T, Yang JJ, Yu S, Zhang Q.
    Bioorg Med Chem Lett; 2010 Aug 15; 20(16):4800-4. PubMed ID: 20634068
    [Abstract] [Full Text] [Related]

  • 13. Potent and selective pyrazole-based inhibitors of B-Raf kinase.
    Hansen JD, Grina J, Newhouse B, Welch M, Topalov G, Littman N, Callejo M, Gloor S, Martinson M, Laird E, Brandhuber BJ, Vigers G, Morales T, Woessner R, Randolph N, Lyssikatos J, Olivero A.
    Bioorg Med Chem Lett; 2008 Aug 15; 18(16):4692-5. PubMed ID: 18676143
    [Abstract] [Full Text] [Related]

  • 14. Non-oxime pyrazole based inhibitors of B-Raf kinase.
    Newhouse BJ, Hansen JD, Grina J, Welch M, Topalov G, Littman N, Callejo M, Martinson M, Galbraith S, Laird ER, Brandhuber BJ, Vigers G, Morales T, Woessner R, Randolph N, Lyssikatos J, Olivero A.
    Bioorg Med Chem Lett; 2011 Jun 01; 21(11):3488-92. PubMed ID: 21536432
    [Abstract] [Full Text] [Related]

  • 15. Synthesis, biological evaluation of novel 4,5-dihydro-2H-pyrazole 2-hydroxyphenyl derivatives as BRAF inhibitors.
    Liu JJ, Zhang H, Sun J, Wang ZC, Yang YS, Li DD, Zhang F, Gong HB, Zhu HL.
    Bioorg Med Chem; 2012 Oct 15; 20(20):6089-96. PubMed ID: 22985957
    [Abstract] [Full Text] [Related]

  • 16. Molecular dynamics simulation, free energy calculation and structure-based 3D-QSAR studies of B-RAF kinase inhibitors.
    Yang Y, Qin J, Liu H, Yao X.
    J Chem Inf Model; 2011 Mar 28; 51(3):680-92. PubMed ID: 21338122
    [Abstract] [Full Text] [Related]

  • 17. The phosphorylation specificity of B-RAF WT, B-RAF D594V, B-RAF V600E and B-RAF K601E kinases: an in silico study.
    Fratev F, Jónsdóttir SO.
    J Mol Graph Model; 2010 Apr 28; 28(7):598-603. PubMed ID: 20093060
    [Abstract] [Full Text] [Related]

  • 18. An Investigation of Molecular Docking and Molecular Dynamic Simulation on Imidazopyridines as B-Raf Kinase Inhibitors.
    Xie H, Li Y, Yu F, Xie X, Qiu K, Fu J.
    Int J Mol Sci; 2015 Nov 16; 16(11):27350-61. PubMed ID: 26580609
    [Abstract] [Full Text] [Related]

  • 19. Synthesis and molecular modeling of some novel hexahydroindazole derivatives as potent monoamine oxidase inhibitors.
    Gökhan-Kelekçi N, Simşek OO, Ercan A, Yelekçi K, Sahin ZS, Işik S, Uçar G, Bilgin AA.
    Bioorg Med Chem; 2009 Sep 15; 17(18):6761-72. PubMed ID: 19682910
    [Abstract] [Full Text] [Related]

  • 20. Application of a novel [3+2] cycloaddition reaction to prepare substituted imidazoles and their use in the design of potent DFG-out allosteric B-Raf inhibitors.
    Dietrich J, Gokhale V, Wang X, Hurley LH, Flynn GA.
    Bioorg Med Chem; 2010 Jan 01; 18(1):292-304. PubMed ID: 19962319
    [Abstract] [Full Text] [Related]

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