These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

147 related articles for article (PubMed ID: 30052144)

  • 1. Exploring binding modes of the selected inhibitors to phosphodiesterase delta by all-atom molecular dynamics simulations and free energy calculations.
    Zhong H; Zhang YJ; Shan XB
    J Biomol Struct Dyn; 2019 Jun; 37(9):2415-2429. PubMed ID: 30052144
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Identification of pyrazolopyridazinones as PDEδ inhibitors.
    Papke B; Murarka S; Vogel HA; Martín-Gago P; Kovacevic M; Truxius DC; Fansa EK; Ismail S; Zimmermann G; Heinelt K; Schultz-Fademrecht C; Al Saabi A; Baumann M; Nussbaumer P; Wittinghofer A; Waldmann H; Bastiaens PI
    Nat Commun; 2016 Apr; 7():11360. PubMed ID: 27094677
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular Simulations of Solved Co-crystallized X-Ray Structures Identify Action Mechanisms of PDEδ Inhibitors.
    Salmas RE; Mestanoglu M; Yurtsever M; Noskov SY; Durdagi S
    Biophys J; 2015 Sep; 109(6):1163-8. PubMed ID: 26340817
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Insight into the binding modes and inhibition mechanisms of adamantyl-based 1,3-disubstituted urea inhibitors in the active site of the human soluble epoxide hydrolase.
    Chen H; Zhang Y; Ye C; Feng TT; Han JG
    J Biomol Struct Dyn; 2014; 32(8):1231-47. PubMed ID: 23815795
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Discovery and optimization of triazine derivatives as ROCK1 inhibitors: molecular docking, molecular dynamics simulations and free energy calculations.
    Shen M; Zhou S; Li Y; Pan P; Zhang L; Hou T
    Mol Biosyst; 2013 Mar; 9(3):361-74. PubMed ID: 23340525
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Molecular mechanism of the association and dissociation of Deltarasin from the heterodimeric KRas4B-PDEδ complex.
    Bello M; Correa-Basurto J; Vargas-Mejía MÁ
    Biopolymers; 2019 Nov; 110(11):e23333. PubMed ID: 31568570
    [TBL] [Abstract][Full Text] [Related]  

  • 7. DFT and molecular simulation validation of the binding activity of PDEδ inhibitors for repression of oncogenic k-Ras.
    Majrashi TA; Sabt A; Almahli H; El Hassab MA; Noamaan MA; Elkaeed EB; Hamissa MF; Maslamani AN; Shaldam MA; Eldehna WM
    PLoS One; 2024; 19(3):e0300035. PubMed ID: 38457483
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Homology modeling, docking studies and molecular dynamic simulations using graphical processing unit architecture to probe the type-11 phosphodiesterase catalytic site: a computational approach for the rational design of selective inhibitors.
    Cichero E; D'Ursi P; Moscatelli M; Bruno O; Orro A; Rotolo C; Milanesi L; Fossa P
    Chem Biol Drug Des; 2013 Dec; 82(6):718-31. PubMed ID: 23865680
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Inhibition mechanism exploration of quinoline derivatives as PDE10A inhibitors by in silico analysis.
    Wu Q; Gao Q; Guo H; Li D; Wang J; Gao W; Han C; Li Y; Yang L
    Mol Biosyst; 2013 Mar; 9(3):386-97. PubMed ID: 23354020
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Small molecule inhibition of the KRAS-PDEδ interaction impairs oncogenic KRAS signalling.
    Zimmermann G; Papke B; Ismail S; Vartak N; Chandra A; Hoffmann M; Hahn SA; Triola G; Wittinghofer A; Bastiaens PI; Waldmann H
    Nature; 2013 May; 497(7451):638-42. PubMed ID: 23698361
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Molecular dynamics simulation and binding free energy studies of novel leads belonging to the benzofuran class inhibitors of Mycobacterium tuberculosis Polyketide Synthase 13.
    Cruz JN; Costa JFS; Khayat AS; Kuca K; Barros CAL; Neto AMJC
    J Biomol Struct Dyn; 2019 Apr; 37(6):1616-1627. PubMed ID: 29633908
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The binding mechanism of a novel nicotinamide isostere inhibiting with TNKSs: a molecular dynamic simulation and binding free energy calculation.
    Feng TT; Zhang YJ; Chen H; Fan S; Han JG
    J Biomol Struct Dyn; 2016; 34(3):517-28. PubMed ID: 25933061
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Exploration of Novel PDEδ Inhibitor Based on Pharmacophore and Molecular Docking against KRAS Mutant in Colorectal Cancer.
    Mouhcine M; Kadil Y; Rahmoune I; Filali H
    Curr Drug Discov Technol; 2023; 20(4):e160423215830. PubMed ID: 37066770
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors.
    Höfgen N; Stange H; Schindler R; Lankau HJ; Grunwald C; Langen B; Egerland U; Tremmel P; Pangalos MN; Marquis KL; Hage T; Harrison BL; Malamas MS; Brandon NJ; Kronbach T
    J Med Chem; 2010 Jun; 53(11):4399-411. PubMed ID: 20450197
    [TBL] [Abstract][Full Text] [Related]  

  • 15. An insight from computational approach to explore novel, high-affinity phosphodiesterase 10A inhibitors for neurological disorders.
    Sharma B; Bhattacherjee D; Zyryanov GV; Purohit R
    J Biomol Struct Dyn; 2023 Nov; 41(19):9424-9436. PubMed ID: 36336960
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Exploring binding modes of the selected inhibitors to SND1 by all-atom molecular dynamics simulations.
    Pang P; Liu S; Hao X; Tian Y; Gong S; Miao D; Zhang Y
    J Biomol Struct Dyn; 2024 Jul; 42(11):5536-5550. PubMed ID: 37345536
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Molecular mechanism study of several inhibitors binding to BRD9 bromodomain based on molecular simulations.
    Song LT; Tu J; Liu RR; Zhu M; Meng YJ; Zhai HL
    J Biomol Struct Dyn; 2019 Jul; 37(11):2970-2979. PubMed ID: 30058436
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Exploration of the binding of benzimidazole-biphenyl derivatives to hemoglobin using docking and molecular dynamics simulation.
    Li J; Shi R; Yang C; Zhu X
    Int J Biol Macromol; 2011 Jan; 48(1):20-6. PubMed ID: 20869392
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular dynamics simulation of tryptophan hydroxylase-1: binding modes and free energy analysis to phenylalanine derivative inhibitors.
    Zhong H; Huang W; He G; Peng C; Wu F; Ouyang L
    Int J Mol Sci; 2013 May; 14(5):9947-62. PubMed ID: 23665899
    [TBL] [Abstract][Full Text] [Related]  

  • 20. An Investigation of Molecular Docking and Molecular Dynamic Simulation on Imidazopyridines as B-Raf Kinase Inhibitors.
    Xie H; Li Y; Yu F; Xie X; Qiu K; Fu J
    Int J Mol Sci; 2015 Nov; 16(11):27350-61. PubMed ID: 26580609
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.