BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

190 related articles for article (PubMed ID: 28370344)

  • 1. Conformational dynamics of cathepsin D and binding to a small-molecule BACE1 inhibitor.
    Ellis CR; Tsai CC; Lin FY; Shen J
    J Comput Chem; 2017 Jun; 38(15):1260-1269. PubMed ID: 28370344
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A Novel Dual Fluorochrome Near-Infrared Imaging Probe for Potential Alzheimer's Enzyme Biomarkers-BACE1 and Cathepsin D.
    Tam JM; Josephson L; Pilozzi AR; Huang X
    Molecules; 2020 Jan; 25(2):. PubMed ID: 31936569
    [TBL] [Abstract][Full Text] [Related]  

  • 3. pH-Dependent Population Shift Regulates BACE1 Activity and Inhibition.
    Ellis CR; Shen J
    J Am Chem Soc; 2015 Aug; 137(30):9543-6. PubMed ID: 26186663
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Discovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors.
    Wu YJ; Guernon J; Rajamani R; Toyn JH; Ahlijanian MK; Albright CF; Muckelbauer J; Chang C; Camac D; Macor JE; Thompson LA
    Bioorg Med Chem Lett; 2016 Dec; 26(23):5729-5731. PubMed ID: 27816517
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Molecular insights into the inhibitory mechanism of bi-functional bis-tryptoline triazole against β-secretase (BACE1) enzyme.
    Narang SS; Goyal D; Goyal B
    Amino Acids; 2019 Nov; 51(10-12):1593-1607. PubMed ID: 31654211
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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; 76():274-288. PubMed ID: 28746905
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular docking based virtual screening of natural compounds as potential BACE1 inhibitors: 3D QSAR pharmacophore mapping and molecular dynamics analysis.
    Kumar A; Roy S; Tripathi S; Sharma A
    J Biomol Struct Dyn; 2016; 34(2):239-49. PubMed ID: 25707809
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Structure-Based Survey of the Binding Modes of BACE1 Inhibitors.
    Hu H; Chen Z; Xu X; Xu Y
    ACS Chem Neurosci; 2019 Feb; 10(2):880-889. PubMed ID: 30540177
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Computational modelling of potent β-secretase (BACE1) inhibitors towards Alzheimer's disease treatment.
    Ugbaja SC; Sanusi ZK; Appiah-Kubi P; Lawal MM; Kumalo HM
    Biophys Chem; 2021 Mar; 270():106536. PubMed ID: 33387910
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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; 76():56-69. PubMed ID: 28710924
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Population density analysis for determining the protonation state of the catalytic dyad in BACE1-tertiary carbinamine-based inhibitor complex.
    Gueto-Tettay C; Pelaez-Bedoya L; Drosos-Ramirez JC
    J Biomol Struct Dyn; 2018 Oct; 36(13):3557-3574. PubMed ID: 29052456
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Binding of Inhibitors to BACE1 Affected by pH-Dependent Protonation: An Exploration from Multiple Replica Gaussian Accelerated Molecular Dynamics and MM-GBSA Calculations.
    Chen J; Zhang S; Wang W; Sun H; Zhang Q; Liu X
    ACS Chem Neurosci; 2021 Jul; 12(14):2591-2607. PubMed ID: 34185514
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Determination of the protonation state for the catalytic dyad in β-secretase when bound to hydroxyethylamine transition state analogue inhibitors: A molecular dynamics simulation study.
    Gueto-Tettay C; Pestana-Nobles R; Drosos-Ramirez JC
    J Mol Graph Model; 2016 May; 66():155-67. PubMed ID: 27111489
    [TBL] [Abstract][Full Text] [Related]  

  • 14. A comparative molecular dynamics study on BACE1 and BACE2 flap flexibility.
    Kumalo HM; Soliman ME
    J Recept Signal Transduct Res; 2016 Oct; 36(5):505-14. PubMed ID: 26804314
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Conformational transition in the substrate binding domain of β-secretase exploited by NMA and its implication in inhibitor recognition: BACE1-myricetin a case study.
    Chakraborty S; Kumar S; Basu S
    Neurochem Int; 2011 Jul; 58(8):914-23. PubMed ID: 21354237
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Identification of a BACE1 Binding Peptide Candidate for the Prevention of Amyloid Beta in Alzheimer's Disease.
    Read J; Suphioglu C
    Cell Physiol Biochem; 2019; 53(2):413-428. PubMed ID: 31415717
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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; 13(4):311-318. PubMed ID: 28413992
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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; 37(9):2339-2354. PubMed ID: 30044206
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Unravelling the molecular basis of AM-6494 high potency at BACE1 in Alzheimer's disease: an integrated dynamic interaction investigation.
    Ugbaja SC; Appiah-Kubi P; Lawal MM; Gumede NS; Kumalo HM
    J Biomol Struct Dyn; 2022 Aug; 40(12):5253-5265. PubMed ID: 33410374
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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; 52(5):1275-87. PubMed ID: 22545704
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.