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Journal Abstract Search

352 related items for PubMed ID: 31931654

  • 21. In silico research on new sulfonamide derivatives as BRD4 inhibitors targeting acute myeloid leukemia using various computational techniques including 3D-QSAR, HQSAR, molecular docking, ADME/Tox, and molecular dynamics.
    Belghalia E, Ouabane M, El Bahi S, Rehman HM, Sbai A, Lakhlifi T, Bouachrine M.
    J Biomol Struct Dyn; 2024 Oct; 42(17):9201-9219. PubMed ID: 37656159
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  • 22. Comparative molecular field analysis of flavonoid inhibitors of the PIM-1 kinase.
    Holder S, Lilly M, Brown ML.
    Bioorg Med Chem; 2007 Oct 01; 15(19):6463-73. PubMed ID: 17637507
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  • 24. 3D-QSAR (CoMFA, CoMSIA), molecular docking and molecular dynamics simulations study of 6-aryl-5-cyano-pyrimidine derivatives to explore the structure requirements of LSD1 inhibitors.
    Ding L, Wang ZZ, Sun XD, Yang J, Ma CY, Li W, Liu HM.
    Bioorg Med Chem Lett; 2017 Aug 01; 27(15):3521-3528. PubMed ID: 28610981
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  • 28. An integrated molecular modeling approach for in silico design of new tetracyclic derivatives as ALK inhibitors.
    Peddi SR, Sivan SK, Manga V.
    J Recept Signal Transduct Res; 2016 Oct 01; 36(5):488-504. PubMed ID: 26758803
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  • 30. 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 01; 12(4):1250-68. PubMed ID: 26883408
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  • 32. 3D-QSAR, molecular docking, and molecular dynamic simulations for prediction of new Hsp90 inhibitors based on isoxazole scaffold.
    Abbasi M, Sadeghi-Aliabadi H, Amanlou M.
    J Biomol Struct Dyn; 2018 May 01; 36(6):1463-1478. PubMed ID: 28482755
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  • 33. 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 01; 8(5):894-912. PubMed ID: 22741782
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  • 34. Identification of potential PIM-2 inhibitors via ligand-based generative models, molecular docking and molecular dynamics simulations.
    Qin T, Wang Y, Kong M, Zhong H, Wu T, Xi Z, Qian Z, Li K, Cai Y, Wu J, Li W.
    Mol Divers; 2024 Aug 01; 28(4):2245-2262. PubMed ID: 38954072
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  • 35. P56(lck) kinase inhibitor studies: a 3D QSAR approach towards designing new drugs from flavonoid derivatives.
    Gunda SK, Narasimha SK, Shaik M.
    Int J Comput Biol Drug Des; 2014 Aug 01; 7(2-3):278-94. PubMed ID: 24878734
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  • 36. 2D and 3D-QSAR analysis of pyrazole-thiazolinone derivatives as EGFR kinase inhibitors by CoMFA and CoMSIA.
    Pourbasheer E, Aalizadeh R, Shiri HM, Banaei A, Ganjali MR.
    Curr Comput Aided Drug Des; 2015 Aug 01; 11(4):292-303. PubMed ID: 26548551
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  • 37. Molecular Modeling Studies on Carbazole Carboxamide Based BTK Inhibitors Using Docking and Structure-Based 3D-QSAR.
    Li R, Du Y, Gao Z, Shen J.
    Int J Mol Sci; 2018 Apr 19; 19(4):. PubMed ID: 29671827
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  • 40. Molecular Modeling Studies of N-phenylpyrimidine-4-amine Derivatives for Inhibiting FMS-like Tyrosine Kinase-3.
    Ghosh S, Keretsu S, Cho SJ.
    Int J Mol Sci; 2021 Nov 19; 22(22):. PubMed ID: 34830393
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