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581 related items for PubMed ID: 23864105

  • 1. An in silico exploration of the interaction mechanism of pyrazolo[1,5-a]pyrimidine type CDK2 inhibitors.
    Li Y, Gao W, Li F, Wang J, Zhang J, Yang Y, Zhang S, Yang L.
    Mol Biosyst; 2013 Sep; 9(9):2266-81. PubMed ID: 23864105
    [Abstract] [Full Text] [Related]

  • 2. Development of in silico models for pyrazoles and pyrimidine derivatives as cyclin-dependent kinase 2 inhibitors.
    Wang F, Ma Z, Li Y, Zhu S, Xiao Z, Zhang H, Wang Y.
    J Mol Graph Model; 2011 Sep; 30():67-81. PubMed ID: 21763166
    [Abstract] [Full Text] [Related]

  • 3. Molecular simulation studies on the binding selectivity of 2-anilino-4-(thiazol-5-yl)-pyrimidines in complexes with CDK2 and CDK7.
    Chohan TA, Qian HY, Pan YL, Chen JZ.
    Mol Biosyst; 2016 Jan; 12(1):145-61. PubMed ID: 26565382
    [Abstract] [Full Text] [Related]

  • 4. Molecular modeling studies to characterize N-phenylpyrimidin-2-amine selectivity for CDK2 and CDK4 through 3D-QSAR and molecular dynamics simulations.
    Chohan TA, Chen JJ, Qian HY, Pan YL, Chen JZ.
    Mol Biosyst; 2016 Apr; 12(4):1250-68. PubMed ID: 26883408
    [Abstract] [Full Text] [Related]

  • 5. Molecular docking and MD simulation studies of 4-thiazol-N-(pyridin-2-yl)pyrimidin-2-amine derivatives as novel inhibitors targeted to CDK2/4/6.
    Liang JD, Zhang YE, Qin F, Chen WN, Jiang WM, Fang Z, Liang XL, Zhang Q, Li J.
    J Cancer Res Clin Oncol; 2024 Jun 10; 150(6):302. PubMed ID: 38856753
    [Abstract] [Full Text] [Related]

  • 6. Versatile templates for the development of novel kinase inhibitors: Discovery of novel CDK inhibitors.
    Dwyer MP, Paruch K, Alvarez C, Doll RJ, Keertikar K, Duca J, Fischmann TO, Hruza A, Madison V, Lees E, Parry D, Seghezzi W, Sgambellone N, Shanahan F, Wiswell D, Guzi TJ.
    Bioorg Med Chem Lett; 2007 Nov 15; 17(22):6216-9. PubMed ID: 17904366
    [Abstract] [Full Text] [Related]

  • 7. Molecular Modeling and Design Studies of Purine Derivatives as Novel CDK2 Inhibitors.
    Zhang G, Ren Y.
    Molecules; 2018 Nov 09; 23(11):. PubMed ID: 30423939
    [Abstract] [Full Text] [Related]

  • 8. 3D-QSAR and docking studies on pyrazolo[4,3-h]qinazoline-3-carboxamides as cyclin-dependent kinase 2 (CDK2) inhibitors.
    Lan P, Chen WN, Xiao GK, Sun PH, Chen WM.
    Bioorg Med Chem Lett; 2010 Nov 15; 20(22):6764-72. PubMed ID: 20869873
    [Abstract] [Full Text] [Related]

  • 9. Molecular modelling on small molecular CDK2 inhibitors: an integrated approach using a combination of molecular docking, 3D-QSAR and pharmacophore modelling.
    Yuan H, Liu H, Tai W, Wang F, Zhang Y, Yao S, Ran T, Lu S, Ke Z, Xiong X, Xu J, Chen Y, Lu T.
    SAR QSAR Environ Res; 2013 Oct 15; 24(10):795-817. PubMed ID: 23941641
    [Abstract] [Full Text] [Related]

  • 10. Inhibition mechanism exploration of quinoline derivatives as PDE10A inhibitors by in silico analysis.
    Wu Q, Gao Q, Guo H, Li D, Wang J, Gao W, Han C, Li Y, Yang L.
    Mol Biosyst; 2013 Mar 15; 9(3):386-97. PubMed ID: 23354020
    [Abstract] [Full Text] [Related]

  • 11. Interaction mechanism exploration of HEA derivatives as BACE1 inhibitors by in silico analysis.
    Wu Q, Li X, Gao Q, Wang J, Li Y, Yang L.
    Mol Biosyst; 2016 Apr 15; 12(4):1151-65. PubMed ID: 26915506
    [Abstract] [Full Text] [Related]

  • 12. Structural features of falcipain-3 inhibitors: an in silico study.
    Wang J, Li F, Li Y, Yang Y, Zhang S, Yang L.
    Mol Biosyst; 2013 Sep 15; 9(9):2296-310. PubMed ID: 23765034
    [Abstract] [Full Text] [Related]

  • 13. Discovery of New Pyrazolopyridine, Furopyridine, and Pyridine Derivatives as CDK2 Inhibitors: Design, Synthesis, Docking Studies, and Anti-Proliferative Activity.
    Abdel-Rahman AA, Shaban AKF, Nassar IF, El-Kady DS, Ismail NSM, Mahmoud SF, Awad HM, El-Sayed WA.
    Molecules; 2021 Jun 26; 26(13):. PubMed ID: 34206976
    [Abstract] [Full Text] [Related]

  • 14. Synthesis, anticancer evaluation, and molecular docking studies of some novel 4,6-disubstituted pyrazolo[3,4-d]pyrimidines as cyclin-dependent kinase 2 (CDK2) inhibitors.
    Cherukupalli S, Chandrasekaran B, Kryštof V, Aleti RR, Sayyad N, Merugu SR, Kushwaha ND, Karpoormath R.
    Bioorg Chem; 2018 Sep 26; 79():46-59. PubMed ID: 29753773
    [Abstract] [Full Text] [Related]

  • 15. Novel Pyrazolo[3,4-d]pyrimidines as Potential Cytotoxic Agents: Design, Synthesis, Molecular Docking and CDK2 Inhibition.
    Maher M, Kassab AE, Zaher AF, Mahmoud Z.
    Anticancer Agents Med Chem; 2019 Sep 26; 19(11):1368-1381. PubMed ID: 31038080
    [Abstract] [Full Text] [Related]

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

  • 17. Design, synthesis, antineoplastic activity of new pyrazolo[3,4-d]pyrimidine derivatives as dual CDK2/GSK3β kinase inhibitors; molecular docking study, and ADME prediction.
    Nemr MTM, Elshewy A, Ibrahim ML, El Kerdawy AM, Halim PA.
    Bioorg Chem; 2024 Sep 26; 150():107566. PubMed ID: 38896936
    [Abstract] [Full Text] [Related]

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  • 19. Theoretical study on the interaction of pyrrolopyrimidine derivatives as LIMK2 inhibitors: insight into structure-based inhibitor design.
    Shen M, Zhou S, Li Y, Li D, Hou T.
    Mol Biosyst; 2013 Oct 26; 9(10):2435-46. PubMed ID: 23881296
    [Abstract] [Full Text] [Related]

  • 20. Exploring the structure determinants of pyrazinone derivatives as PDE5 3HC8 inhibitors: an in silico analysis.
    Li Y, Wu W, Ren H, Wang J, Zhang S, Li G, Yang L.
    J Mol Graph Model; 2012 Sep 26; 38():112-22. PubMed ID: 23085160
    [Abstract] [Full Text] [Related]

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