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Journal Abstract Search


418 related items for PubMed ID: 31284868

  • 21. 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; 9(10):2435-46. PubMed ID: 23881296
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  • 22. Discovery of novel and highly potential inhibitors of glycogen synthase kinase 3-beta (GSK-3β) through structure-based pharmacophore modeling, virtual computational screening, docking and in silico ADMET analysis.
    Benghanem S, Mesli F, Fatima Zohra HA, Nacereddine C, Hadjer C, Abdellatif M.
    J Biomol Struct Dyn; 2024 Sep; 42(14):7091-7106. PubMed ID: 37498130
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  • 23. 3D-QSAR, molecular dynamics simulations, and molecular docking studies on pyridoaminotropanes and tetrahydroquinazoline as mTOR inhibitors.
    Chaube U, Bhatt H.
    Mol Divers; 2017 Aug; 21(3):741-759. PubMed ID: 28577112
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  • 24. Molecular dynamics simulations reveal structural insights into inhibitor binding modes and mechanism of casein kinase II inhibitors.
    Ul-Haq Z, Ashraf S, Bkhaitan MM.
    J Biomol Struct Dyn; 2019 Mar; 37(5):1120-1135. PubMed ID: 29527958
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  • 25. Docking, molecular dynamics, binding energy-MM-PBSA studies of naphthofuran derivatives to identify potential dual inhibitors against BACE-1 and GSK-3β.
    Kumar A, Srivastava G, Negi AS, Sharma A.
    J Biomol Struct Dyn; 2019 Feb; 37(2):275-290. PubMed ID: 29310523
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  • 26. 3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation.
    Balasubramanian PK, Balupuri A, Bhujbal SP, Cho SJ.
    J Biomol Struct Dyn; 2019 May; 37(8):2165-2178. PubMed ID: 30044205
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  • 27. Structural basis of valmerins as dual inhibitors of GSK3β/CDK5.
    Li X, Wang X, Tian Z, Zhao H, Liang D, Li W, Qiu Y, Lu S.
    J Mol Model; 2014 Sep; 20(9):2407. PubMed ID: 25142337
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  • 28. 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
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  • 29. Studies of N(9)-arenthenyl purines as novel DFG-in and DFG-out dual Src/Abl inhibitors using 3D-QSAR, docking and molecular dynamics simulations.
    Ma S, Zeng G, Fang D, Wang J, Wu W, Xie W, Tan S, Zheng K.
    Mol Biosyst; 2015 Feb; 11(2):394-406. PubMed ID: 25406390
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  • 30. Dissection of the difference between the group I metal ions in inhibiting GSK3β: a computational study.
    Lu SY, Jiang YJ, Zou JW, Wu TX.
    Phys Chem Chem Phys; 2011 Apr 21; 13(15):7014-23. PubMed ID: 21409189
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  • 31. A new protocol for predicting novel GSK-3β ATP competitive inhibitors.
    Fang J, Huang D, Zhao W, Ge H, Luo HB, Xu J.
    J Chem Inf Model; 2011 Jun 27; 51(6):1431-8. PubMed ID: 21615159
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  • 32. Computational study of paroxetine-like inhibitors reveals new molecular insight to inhibit GRK2 with selectivity over ROCK1.
    Keretsu S, Bhujbal SP, Joo Cho S.
    Sci Rep; 2019 Sep 10; 9(1):13053. PubMed ID: 31506468
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  • 33. Insight into the interaction mechanism of human SGLT2 with its inhibitors: 3D-QSAR studies, homology modeling, and molecular docking and molecular dynamics simulations.
    Dong L, Feng R, Bi J, Shen S, Lu H, Zhang J.
    J Mol Model; 2018 Mar 06; 24(4):86. PubMed ID: 29511885
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  • 34. Integrated molecular docking, 3D QSAR and molecular dynamics simulation studies on indole derivatives for designing new Pim-1 inhibitors.
    Peddi SR, Peddi SR, Sivan S, Veerati R, Manga V.
    J Recept Signal Transduct Res; 2020 Feb 06; 40(1):1-14. PubMed ID: 31931654
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  • 35. In silico screening and identification of potential GSK3β inhibitors.
    Daggupati T, Pamanji R, Yeguvapalli S.
    J Recept Signal Transduct Res; 2018 Aug 06; 38(4):279-289. PubMed ID: 29947280
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  • 36. Computational Investigations of Coumarin Derivatives as Cyclindependent Kinase 9 Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation.
    Liu S, Li Y, Wei X, Zhang R, Zhang Y, Guo C.
    Curr Comput Aided Drug Des; 2022 Aug 06; 18(5):363-380. PubMed ID: 35980073
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  • 37. Molecular modeling studies on series of Btk inhibitors using docking, structure-based 3D-QSAR and molecular dynamics simulation: a combined approach.
    Balasubramanian PK, Balupuri A, Cho SJ.
    Arch Pharm Res; 2016 Mar 06; 39(3):328-39. PubMed ID: 26699616
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  • 38. Molecular dynamics and QM/MM-based 3D interaction analyses of cyclin-E inhibitors.
    Pasha FA, Neaz MM.
    J Mol Model; 2013 Feb 06; 19(2):879-91. PubMed ID: 23086460
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  • 39. Discovery and anti-inflammatory evaluation of benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of glycogen synthase kinase-3β (GSK-3β).
    Gao Y, Zhang P, Cui A, Ye DY, Xiang M, Chu Y.
    Bioorg Med Chem; 2018 Nov 01; 26(20):5479-5493. PubMed ID: 30293796
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  • 40. Docking and quantitative structure-activity relationship of oxadiazole derivates as inhibitors of GSK3β.
    Quesada-Romero L, Caballero J.
    Mol Divers; 2014 Feb 01; 18(1):149-59. PubMed ID: 24081608
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