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Journal Abstract Search

283 related items for PubMed ID: 22194329

  • 21. Modeling of substrate specificity of the Alzheimer's disease amyloid precursor protein beta-secretase.
    Sauder JM, Arthur JW, Dunbrack RL.
    J Mol Biol; 2000 Jul 07; 300(2):241-8. PubMed ID: 10873463
    [Abstract] [Full Text] [Related]

  • 22. Structure-based design of β-site APP cleaving enzyme 1 (BACE1) inhibitors for the treatment of Alzheimer's disease.
    Yuan J, Venkatraman S, Zheng Y, McKeever BM, Dillard LW, Singh SB.
    J Med Chem; 2013 Jun 13; 56(11):4156-80. PubMed ID: 23509904
    [Abstract] [Full Text] [Related]

  • 23. Computational analysis of BACE1-ligand complex crystal structures and linear discriminant analysis for identification of BACE1 inhibitors with anti P-glycoprotein binding property.
    Manoharan P, Chennoju K, Ghoshal N.
    J Biomol Struct Dyn; 2018 Jan 13; 36(1):262-276. PubMed ID: 28081663
    [Abstract] [Full Text] [Related]

  • 24. 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 13; 12(4):1151-65. PubMed ID: 26915506
    [Abstract] [Full Text] [Related]

  • 25. Protonation states of the catalytic dyad of β-secretase (BACE1) in the presence of chemically diverse inhibitors: a molecular docking study.
    Barman A, Prabhakar R.
    J Chem Inf Model; 2012 May 25; 52(5):1275-87. PubMed ID: 22545704
    [Abstract] [Full Text] [Related]

  • 26. Identification of BACE1 inhibitors from Panax ginseng saponins-An Insilco approach.
    Karpagam V, Sathishkumar N, Sathiyamoorthy S, Rasappan P, Shila S, Kim YJ, Yang DC.
    Comput Biol Med; 2013 Sep 25; 43(8):1037-44. PubMed ID: 23816176
    [Abstract] [Full Text] [Related]

  • 27. Crystal structure of an active form of BACE1, an enzyme responsible for amyloid beta protein production.
    Shimizu H, Tosaki A, Kaneko K, Hisano T, Sakurai T, Nukina N.
    Mol Cell Biol; 2008 Jun 25; 28(11):3663-71. PubMed ID: 18378702
    [Abstract] [Full Text] [Related]

  • 28. Acylguanidine-BACE1 complex: Insights of intermolecular interactions and dynamics.
    Saravanan K, Kumaradhas P.
    J Theor Biol; 2019 Mar 07; 464():33-49. PubMed ID: 30571961
    [Abstract] [Full Text] [Related]

  • 29. Flap position of free memapsin 2 (beta-secretase), a model for flap opening in aspartic protease catalysis.
    Hong L, Tang J.
    Biochemistry; 2004 Apr 27; 43(16):4689-95. PubMed ID: 15096037
    [Abstract] [Full Text] [Related]

  • 30. Identification of new BACE1 inhibitors using Pharmacophore and Molecular dynamics simulations approach.
    Dhanabalan AK, Kesherwani M, Velmurugan D, Gunasekaran K.
    J Mol Graph Model; 2017 Sep 27; 76():56-69. PubMed ID: 28710924
    [Abstract] [Full Text] [Related]

  • 31. Target specific proteochemometric model development for BACE1 - protein flexibility and structural water are critical in virtual screening.
    Manoharan P, Chennoju K, Ghoshal N.
    Mol Biosyst; 2015 Jul 27; 11(7):1955-72. PubMed ID: 25927726
    [Abstract] [Full Text] [Related]

  • 32. Determination of the active site protonation state of beta-secretase from molecular dynamics simulation and docking experiment: implications for structure-based inhibitor design.
    Park H, Lee S.
    J Am Chem Soc; 2003 Dec 31; 125(52):16416-22. PubMed ID: 14692784
    [Abstract] [Full Text] [Related]

  • 33. The role of tyrosine 71 in modulating the flap conformations of BACE1.
    Spronk SA, Carlson HA.
    Proteins; 2011 Jul 31; 79(7):2247-59. PubMed ID: 21590744
    [Abstract] [Full Text] [Related]

  • 34. Effects of peptides derived from BACE1 catalytic domain on APP processing.
    Yeon SW, Jeon YJ, Hwang EM, Kim TY.
    Peptides; 2007 Apr 31; 28(4):838-44. PubMed ID: 17293005
    [Abstract] [Full Text] [Related]

  • 35. Investigation of intermolecular interactions and stability of verubecestat in the active site of BACE1: Development of first model from QM/MM-based charge density and MD analysis.
    Saravanan K, Sivanandam M, Hunday G, Mathiyalagan L, Kumaradhas P.
    J Biomol Struct Dyn; 2019 Jun 31; 37(9):2339-2354. PubMed ID: 30044206
    [Abstract] [Full Text] [Related]

  • 36. On the orientation of the catalytic dyad in aspartic proteases.
    Friedman R, Caflisch A.
    Proteins; 2010 May 01; 78(6):1575-82. PubMed ID: 20112416
    [Abstract] [Full Text] [Related]

  • 37. From fragment screening to in vivo efficacy: optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1).
    Cheng Y, Judd TC, Bartberger MD, Brown J, Chen K, Fremeau RT, Hickman D, Hitchcock SA, Jordan B, Li V, Lopez P, Louie SW, Luo Y, Michelsen K, Nixey T, Powers TS, Rattan C, Sickmier EA, St Jean DJ, Wahl RC, Wen PH, Wood S.
    J Med Chem; 2011 Aug 25; 54(16):5836-57. PubMed ID: 21707077
    [Abstract] [Full Text] [Related]

  • 38. Apo and inhibitor complex structures of BACE (beta-secretase).
    Patel S, Vuillard L, Cleasby A, Murray CW, Yon J.
    J Mol Biol; 2004 Oct 15; 343(2):407-16. PubMed ID: 15451669
    [Abstract] [Full Text] [Related]

  • 39. Screening and Elucidation of Selected Natural Compounds for Anti- Alzheimer's Potential Targeting BACE-1 Enzyme: A Case Computational Study.
    Ahmad SS, Akhtar S, Danish Rizvi SM, Kamal MA, Sayeed U, Khan MKA, Siddiqui MH, Arif JM.
    Curr Comput Aided Drug Des; 2017 Nov 10; 13(4):311-318. PubMed ID: 28413992
    [Abstract] [Full Text] [Related]

  • 40. Dynamics in the active site of β-secretase: a network analysis of atomistic simulations.
    Mishra S, Caflisch A.
    Biochemistry; 2011 Nov 01; 50(43):9328-39. PubMed ID: 21942621
    [Abstract] [Full Text] [Related]

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