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Journal Abstract Search

581 related items for PubMed ID: 23864105

  • 21. Decoding molecular mechanism of inhibitor bindings to CDK2 using molecular dynamics simulations and binding free energy calculations.
    Chen J, Pang L, Wang W, Wang L, Zhang JZH, Zhu T.
    J Biomol Struct Dyn; 2020 Mar; 38(4):985-996. PubMed ID: 30843759
    [Abstract] [Full Text] [Related]

  • 22. Synthesis of a new series of pyrazolo[1,5-a]pyrimidines as CDK2 inhibitors and anti-leukemia.
    Almehmadi SJ, Alsaedi AMR, Harras MF, Farghaly TA.
    Bioorg Chem; 2021 Dec; 117():105431. PubMed ID: 34688130
    [Abstract] [Full Text] [Related]

  • 23. A convenient synthesis and molecular modeling study of novel purine and pyrimidine derivatives as CDK2/cyclin A3 inhibitors.
    Elgazwy AS, Ismail NS, Elzahabi HS.
    Bioorg Med Chem; 2010 Nov 01; 18(21):7639-50. PubMed ID: 20851615
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  • 24. Extra precision docking, free energy calculation and molecular dynamics simulation studies of CDK2 inhibitors.
    Tripathi SK, Muttineni R, Singh SK.
    J Theor Biol; 2013 Oct 07; 334():87-100. PubMed ID: 23727278
    [Abstract] [Full Text] [Related]

  • 25. 3D-QSAR CoMFA and CoMSIA study on benzodipyrazoles as cyclin dependent kinase 2 inhibitors.
    Dessalew N, Singh SK.
    Med Chem; 2008 Jul 07; 4(4):313-21. PubMed ID: 18673142
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  • 26. Molecular modeling studies of 4,5-dihydro-1H-pyrazolo[4,3-h] quinazoline derivatives as potent CDK2/Cyclin a inhibitors using 3D-QSAR and docking.
    Ai Y, Wang ST, Sun PH, Song FJ.
    Int J Mol Sci; 2010 Sep 28; 11(10):3705-24. PubMed ID: 21152296
    [Abstract] [Full Text] [Related]

  • 27. Explicit treatment of active-site waters enhances quantum mechanical/implicit solvent scoring: Inhibition of CDK2 by new pyrazolo[1,5-a]pyrimidines.
    Hylsová M, Carbain B, Fanfrlík J, Musilová L, Haldar S, Köprülüoğlu C, Ajani H, Brahmkshatriya PS, Jorda R, Kryštof V, Hobza P, Echalier A, Paruch K, Lepšík M.
    Eur J Med Chem; 2017 Jan 27; 126():1118-1128. PubMed ID: 28039837
    [Abstract] [Full Text] [Related]

  • 28. Computational studies on the binding mechanism between triazolone inhibitors and Chk1 by molecular docking and molecular dynamics.
    Lv M, Ma S, Tian Y, Zhang X, Lv W, Zhai H.
    Mol Biosyst; 2015 Jan 27; 11(1):275-86. PubMed ID: 25372494
    [Abstract] [Full Text] [Related]

  • 29. 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 27; 83(6):643-55. PubMed ID: 24373283
    [Abstract] [Full Text] [Related]

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  • 31. 3D-QSAR, molecular dynamics simulations, and molecular docking studies on pyridoaminotropanes and tetrahydroquinazoline as mTOR inhibitors.
    Chaube U, Bhatt H.
    Mol Divers; 2017 Aug 27; 21(3):741-759. PubMed ID: 28577112
    [Abstract] [Full Text] [Related]

  • 32. An efficient tool for identifying inhibitors based on 3D-QSAR and docking using feature-shape pharmacophore of biologically active conformation--a case study with CDK2/cyclinA.
    Mascarenhas NM, Ghoshal N.
    Eur J Med Chem; 2008 Dec 27; 43(12):2807-18. PubMed ID: 18037537
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  • 34. In silico discovery of potent and selective Janus kinase 3 (JAK3) inhibitors through 3D-QSAR, covalent docking, ADMET analysis, molecular dynamics simulations, and binding free energy of pyrazolopyrimidine derivatives.
    Faris A, Hadni H, Ibrahim IM, Elhallaoui M.
    J Biomol Struct Dyn; 2024 Jun 27; 42(9):4817-4833. PubMed ID: 37338041
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  • 36. In silico screening of a series of 1,6-disubstituted 1H-pyrazolo[3,4-d]pyrimidines as potential selective inhibitors of the Janus kinase 3.
    Faris A, Hadni H, Saleh BA, Khelfaoui H, Harkati D, Ait Ahsaine H, Elhallaoui M, El-Hiti GA.
    J Biomol Struct Dyn; 2024 Jun 27; 42(9):4456-4474. PubMed ID: 37317996
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  • 39. Design, synthesis and biological study of novel pyrido[2,3-d]pyrimidine as anti-proliferative CDK2 inhibitors.
    Ibrahim DA, Ismail NS.
    Eur J Med Chem; 2011 Dec 27; 46(12):5825-32. PubMed ID: 22000924
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