BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

572 related articles for article (PubMed ID: 25344815)

  • 1. Covalent docking of large libraries for the discovery of chemical probes.
    London N; Miller RM; Krishnan S; Uchida K; Irwin JJ; Eidam O; Gibold L; Cimermančič P; Bonnet R; Shoichet BK; Taunton J
    Nat Chem Biol; 2014 Dec; 10(12):1066-72. PubMed ID: 25344815
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Covalent docking of selected boron-based serine beta-lactamase inhibitors.
    Sgrignani J; Novati B; Colombo G; Grazioso G
    J Comput Aided Mol Des; 2015 May; 29(5):441-50. PubMed ID: 25676821
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Selective JAK3 Inhibitors with a Covalent Reversible Binding Mode Targeting a New Induced Fit Binding Pocket.
    Forster M; Chaikuad A; Bauer SM; Holstein J; Robers MB; Corona CR; Gehringer M; Pfaffenrot E; Ghoreschi K; Knapp S; Laufer SA
    Cell Chem Biol; 2016 Nov; 23(11):1335-1340. PubMed ID: 27840070
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ultra-large library docking for discovering new chemotypes.
    Lyu J; Wang S; Balius TE; Singh I; Levit A; Moroz YS; O'Meara MJ; Che T; Algaa E; Tolmachova K; Tolmachev AA; Shoichet BK; Roth BL; Irwin JJ
    Nature; 2019 Feb; 566(7743):224-229. PubMed ID: 30728502
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Electrophilic fragment-based design of reversible covalent kinase inhibitors.
    Miller RM; Paavilainen VO; Krishnan S; Serafimova IM; Taunton J
    J Am Chem Soc; 2013 Apr; 135(14):5298-301. PubMed ID: 23540679
    [TBL] [Abstract][Full Text] [Related]  

  • 6. High-Throughput Kinetic Analysis for Target-Directed Covalent Ligand Discovery.
    Craven GB; Affron DP; Allen CE; Matthies S; Greener JG; Morgan RML; Tate EW; Armstrong A; Mann DJ
    Angew Chem Int Ed Engl; 2018 May; 57(19):5257-5261. PubMed ID: 29480525
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Validation of the AmpC β-lactamase binding site and identification of inhibitors with novel scaffolds.
    Chan FY; Neves MA; Sun N; Tsang MW; Leung YC; Chan TH; Abagyan R; Wong KY
    J Chem Inf Model; 2012 May; 52(5):1367-75. PubMed ID: 22559726
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Identification of inhibitors against p90 ribosomal S6 kinase 2 (RSK2) through structure-based virtual screening with the inhibitor-constrained refined homology model.
    Li S; Zhou Y; Lu W; Zhong Y; Song W; Liu K; Huang J; Zhao Z; Xu Y; Liu X; Li H
    J Chem Inf Model; 2011 Nov; 51(11):2939-47. PubMed ID: 21995341
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Structure-based approach for identification of novel phenylboronic acids as serine-β-lactamase inhibitors.
    Sgrignani J; De Luca F; Torosyan H; Docquier JD; Duan D; Novati B; Prati F; Colombo G; Grazioso G
    J Comput Aided Mol Des; 2016 Oct; 30(10):851-861. PubMed ID: 27632226
    [TBL] [Abstract][Full Text] [Related]  

  • 10. DUckCov: a Dynamic Undocking-Based Virtual Screening Protocol for Covalent Binders.
    Rachman M; Scarpino A; Bajusz D; Pálfy G; Vida I; Perczel A; Barril X; Keserű GM
    ChemMedChem; 2019 May; 14(10):1011-1021. PubMed ID: 30786178
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Discovery of highly potent, selective, covalent inhibitors of JAK3.
    Kempson J; Ovalle D; Guo J; Wrobleski ST; Lin S; Spergel SH; Duan JJ; Jiang B; Lu Z; Das J; Yang BV; Hynes J; Wu H; Tokarski J; Sack JS; Khan J; Schieven G; Blatt Y; Chaudhry C; Salter-Cid LM; Fura A; Barrish JC; Carter PH; Pitts WJ
    Bioorg Med Chem Lett; 2017 Oct; 27(20):4622-4625. PubMed ID: 28927786
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The Development of New Small-Molecule Inhibitors Targeting Bacterial Metallo-β-lactamases.
    Wang P; Cheng J; Liu CC; Tang K; Xu F; Yu Z; Yu B; Chang J
    Curr Top Med Chem; 2018; 18(10):834-843. PubMed ID: 29773066
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Discovery of novel CK2 leads by cross-docking based virtual screening.
    Sun H; Wu X; Xu X; Jiang Z; Liu Z; You Q
    Med Chem; 2014; 10(6):628-39. PubMed ID: 24286395
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular basis of the beta-lactamase protein using comparative modelling, drug screening and molecular dynamics studies to understand the resistance of β-lactam antibiotics.
    Alazmi M
    J Mol Model; 2020 Jul; 26(8):200. PubMed ID: 32638150
    [TBL] [Abstract][Full Text] [Related]  

  • 15. An electrophilic warhead library for mapping the reactivity and accessibility of tractable cysteines in protein kinases.
    Petri L; Egyed A; Bajusz D; Imre T; Hetényi A; Martinek T; Ábrányi-Balogh P; Keserű GM
    Eur J Med Chem; 2020 Dec; 207():112836. PubMed ID: 32971426
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Novel non-β-lactam inhibitor of β-lactamase TEM-171 based on acylated phenoxyaniline.
    Grigorenko VG; Andreeva IP; Rubtsova MY; Deygen IM; Antipin RL; Majouga AG; Egorov AM; Beshnova DA; Kallio J; Hackenberg C; Lamzin VS
    Biochimie; 2017 Jan; 132():45-53. PubMed ID: 27771370
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure-activity relationship analysis.
    Zhong Y; Xue M; Zhao X; Yuan J; Liu X; Huang J; Zhao Z; Li H; Xu Y
    Bioorg Med Chem; 2013 Apr; 21(7):1724-34. PubMed ID: 23434140
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Discovery of a Cyclic Boronic Acid β-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.
    Hecker SJ; Reddy KR; Totrov M; Hirst GC; Lomovskaya O; Griffith DC; King P; Tsivkovski R; Sun D; Sabet M; Tarazi Z; Clifton MC; Atkins K; Raymond A; Potts KT; Abendroth J; Boyer SH; Loutit JS; Morgan EE; Durso S; Dudley MN
    J Med Chem; 2015 May; 58(9):3682-92. PubMed ID: 25782055
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Panel docking of small-molecule libraries - Prospects to improve efficiency of lead compound discovery.
    Sarnpitak P; Mujumdar P; Taylor P; Cross M; Coster MJ; Gorse AD; Krasavin M; Hofmann A
    Biotechnol Adv; 2015 Nov; 33(6 Pt 1):941-7. PubMed ID: 26025037
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Discovery of tyrosine kinase inhibitors by docking into an inactive kinase conformation generated by molecular dynamics.
    Zhao H; Huang D; Caflisch A
    ChemMedChem; 2012 Nov; 7(11):1983-90. PubMed ID: 22976951
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 29.