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Journal Abstract Search

166 related items for PubMed ID: 34252351

  • 1.
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  • 2. Computational Study of Novel Natural Inhibitors Targeting O6-Methylguanine-DNA Methyltransferase.
    Yang L, Li W, Zhao Y, Zhong S, Wang X, Jiang S, Cheng Y, Xu H, Zhao G.
    World Neurosurg; 2019 Oct; 130():e294-e306. PubMed ID: 31203065
    [Abstract] [Full Text] [Related]

  • 3. Docking-based structural splicing and reassembly strategy to develop novel deazapurine derivatives as potent B-RafV600E inhibitors.
    Wang GM, Wang X, Zhu JM, Guo BB, Yang Z, Xu ZJ, Li B, Wang HY, Meng LH, Zhu WL, Ding J.
    Acta Pharmacol Sin; 2017 Jul; 38(7):1059-1068. PubMed ID: 28414204
    [Abstract] [Full Text] [Related]

  • 4. Helix-Coil Transition Signatures B-Raf V600E Mutation and Virtual Screening for Inhibitors Directed Against Mutant B-Raf.
    Bandaru S, Sumithnath TG, Sharda S, Lakhotia S, Sharma A, Jain A, Hussain T, Nayarisseri A, Singh SK.
    Curr Drug Metab; 2017 Jul 21; 18(6):527-534. PubMed ID: 28472910
    [Abstract] [Full Text] [Related]

  • 5. Computational study on new natural compound agonists of stimulator of interferon genes (STING).
    Zhong S, Li W, Bai Y, Wu B, Wang X, Jiang S, Zhao Y, Ren J, Li H, Jin R.
    PLoS One; 2019 Jul 21; 14(5):e0216678. PubMed ID: 31120925
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  • 7. Computational study on natural compounds inhibitor of c-Myc.
    Ren J, Huangfu Y, Ge J, Wu B, Li W, Wang X, Zhao L.
    Medicine (Baltimore); 2020 Dec 11; 99(50):e23342. PubMed ID: 33327259
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  • 9. Resistance mechanism of the oncogenic β3-αC deletion mutation in BRAF kinase to dabrafenib and vemurafenib revealed by molecular dynamics simulations and binding free energy calculations.
    Niu Y, Zhang Y, Yao X.
    Chem Biol Drug Des; 2019 Feb 11; 93(2):177-187. PubMed ID: 30225883
    [Abstract] [Full Text] [Related]

  • 10. Imidazothiazole-based potent inhibitors of V600E-B-RAF kinase with promising anti-melanoma activity: biological and computational studies.
    Anbar HS, El-Gamal MI, Tarazi H, Lee BS, Jeon HR, Kwon D, Oh CH.
    J Enzyme Inhib Med Chem; 2020 Dec 11; 35(1):1712-1726. PubMed ID: 32962435
    [Abstract] [Full Text] [Related]

  • 11. RAF inhibitor resistance is mediated by dimerization of aberrantly spliced BRAF(V600E).
    Poulikakos PI, Persaud Y, Janakiraman M, Kong X, Ng C, Moriceau G, Shi H, Atefi M, Titz B, Gabay MT, Salton M, Dahlman KB, Tadi M, Wargo JA, Flaherty KT, Kelley MC, Misteli T, Chapman PB, Sosman JA, Graeber TG, Ribas A, Lo RS, Rosen N, Solit DB.
    Nature; 2011 Nov 23; 480(7377):387-90. PubMed ID: 22113612
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  • 12.
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  • 13. Biochemical Characterization of Full-Length Oncogenic BRAFV600E together with Molecular Dynamics Simulations Provide Insight into the Activation and Inhibition Mechanisms of RAF Kinases.
    Cope N, Novak B, Candelora C, Wong K, Cavallo M, Gunderwala A, Liu Z, Li Y, Wang Z.
    Chembiochem; 2019 Nov 18; 20(22):2850-2861. PubMed ID: 31152574
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. Discovery of EBI-907: A highly potent and orally active B-Raf(V600E) inhibitor for the treatment of melanoma and associated cancers.
    Lu B, Cao H, Cao J, Huang S, Hu Q, Liu D, Shen R, Shen X, Tao W, Wan H, Wang D, Yan Y, Yang L, Zhang J, Zhang L, Zhang L, Zhang M.
    Bioorg Med Chem Lett; 2016 Feb 01; 26(3):819-823. PubMed ID: 26739779
    [Abstract] [Full Text] [Related]

  • 16. Insight into the Binding of DFG-out Allosteric Inhibitors to B-Raf Kinase Using Molecular Dynamics and Free Energy Calculations.
    Coronel L, Granadino-Roldán JM, Pinto M, Tomas MS, Pujol MD, Rubio-Martinez J.
    Curr Comput Aided Drug Des; 2015 Feb 01; 11(2):124-36. PubMed ID: 26135342
    [Abstract] [Full Text] [Related]

  • 17. Computational study on novel natural inhibitors targeting c-MET.
    Hou Y, Xie H, Dou G, Yang W, Ge J, Zhou B, Ren J, Li J, Wang J, Zhang Z, Wang X.
    Medicine (Baltimore); 2021 Sep 24; 100(38):e27171. PubMed ID: 34559105
    [Abstract] [Full Text] [Related]

  • 18.
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  • 19. 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]

  • 20. Structural optimization of imidazothiazole derivatives affords a new promising series as B-Raf V600E inhibitors; synthesis, in vitro assay and in silico screening.
    Ammar UM, Abdel-Maksoud MS, Ali EMH, Mersal KI, Ho Yoo K, Oh CH.
    Bioorg Chem; 2020 Jul 28; 100():103967. PubMed ID: 32470760
    [Abstract] [Full Text] [Related]

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