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442 related items for PubMed ID: 29310523

  • 1. 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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  • 2. Investigation of naphthofuran moiety as potential dual inhibitor against BACE-1 and GSK-3β: molecular dynamics simulations, binding energy, and network analysis to identify first-in-class dual inhibitors against Alzheimer's disease.
    Kumar A, Srivastava G, Srivastava S, Verma S, Negi AS, Sharma A.
    J Mol Model; 2017 Aug; 23(8):239. PubMed ID: 28741112
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  • 3. A physicochemical descriptor based method for effective and rapid screening of dual inhibitors against BACE-1 and GSK-3β as targets for Alzheimer's disease.
    Kumar A, Srivastava G, Sharma A.
    Comput Biol Chem; 2017 Dec; 71():1-9. PubMed ID: 28950235
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  • 6. Receptor-based pharmacophore modeling, virtual screening, and molecular docking studies for the discovery of novel GSK-3β inhibitors.
    El Kerdawy AM, Osman AA, Zaater MA.
    J Mol Model; 2019 May 25; 25(6):171. PubMed ID: 31129879
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  • 8. Unveiling a novel transient druggable pocket in BACE-1 through molecular simulations: Conformational analysis and binding mode of multisite inhibitors.
    Di Pietro O, Juárez-Jiménez J, Muñoz-Torrero D, Laughton CA, Luque FJ.
    PLoS One; 2017 May 25; 12(5):e0177683. PubMed ID: 28505196
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  • 9. Multitarget drug discovery for Alzheimer's disease: triazinones as BACE-1 and GSK-3β inhibitors.
    Prati F, De Simone A, Bisignano P, Armirotti A, Summa M, Pizzirani D, Scarpelli R, Perez DI, Andrisano V, Perez-Castillo A, Monti B, Massenzio F, Polito L, Racchi M, Favia AD, Bottegoni G, Martinez A, Bolognesi ML, Cavalli A.
    Angew Chem Int Ed Engl; 2015 Jan 26; 54(5):1578-82. PubMed ID: 25504761
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  • 10. A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process.
    Gueto-Tettay C, Martinez-Consuegra A, Zuchniarz J, Gueto-Tettay LR, Drosos-Ramírez JC.
    J Mol Graph Model; 2017 Sep 26; 76():274-288. PubMed ID: 28746905
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  • 11. Design, Synthesis and Biological Evaluation of 7-Chloro-9H-pyrimido[4,5-b]indole-based Glycogen Synthase Kinase-3β Inhibitors.
    Andreev S, Pantsar T, Ansideri F, Kudolo M, Forster M, Schollmeyer D, Laufer SA, Koch P.
    Molecules; 2019 Jun 25; 24(12):. PubMed ID: 31242571
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  • 14. Determination of Potential Lead Compound from Magnolia officinalis for Alzheimer's Disease through Pharmacokinetic Prediction, Molecular Docking, Dynamic Simulation, and Experimental Validation.
    Youn K, Jun M.
    Int J Mol Sci; 2024 Sep 29; 25(19):. PubMed ID: 39408835
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  • 15. Molecular dynamics simulation studies of GSK-3β ATP competitive inhibitors: understanding the factors contributing to selectivity.
    Arfeen M, Patel R, Khan T, Bharatam PV.
    J Biomol Struct Dyn; 2015 Sep 29; 33(12):2578-93. PubMed ID: 26209183
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  • 16. Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments.
    Bottegoni G, Veronesi M, Bisignano P, Kacker P, Favia AD, Cavalli A.
    ChemMedChem; 2016 Jun 20; 11(12):1259-63. PubMed ID: 26663255
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  • 17. Biological evaluation and energetic analyses of novel GSK-3β inhibitors.
    Zhang D, Liu L, Pang L, Jin Q, Ke K, Hu M, Yang J, Ma W, Xie H, Chen X.
    J Cell Biochem; 2018 Apr 20; 119(4):3510-3518. PubMed ID: 29144001
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  • 18. Computational Investigation of Novel Compounds as Dual Inhibitors of AChE and GSK-3β for the Treatment of Alzheimer's Disease.
    Londhe SG, Shenoy M, Kini SG, Walhekar V, Kumar D.
    Curr Top Med Chem; 2024 Apr 20; 24(19):1738-1753. PubMed ID: 38859777
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  • 19. 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 20; 12(4):1151-65. PubMed ID: 26915506
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