BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

189 related articles for article (PubMed ID: 33256167)

  • 1. Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors.
    Botelho FD; Dos Santos MC; Gonçalves ADS; Kuca K; Valis M; LaPlante SR; França TCC; de Almeida JSFD
    Toxins (Basel); 2020 Nov; 12(12):. PubMed ID: 33256167
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach.
    Botelho FD; Santos MC; Gonçalves AS; França TCC; LaPlante SR; de Almeida JSFD
    J Biomol Struct Dyn; 2022 Aug; 40(12):5309-5319. PubMed ID: 33410376
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Determining the Relative Binding Affinity of Ricin Toxin A Inhibitors by Using Molecular Docking and Nonequilibrium Work.
    Chaves EJF; Padilha IQM; Araújo DAM; Rocha GB
    J Chem Inf Model; 2018 Jun; 58(6):1205-1213. PubMed ID: 29750861
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Discovery of RTA ricin subunit inhibitors: a computational study using PM7 quantum chemical method and steered molecular dynamics.
    Chaves EJF; Gomes da Cruz LE; Padilha IQM; Silveira CH; Araujo DAM; Rocha GB
    J Biomol Struct Dyn; 2022 Aug; 40(12):5427-5445. PubMed ID: 33526002
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Identification of new classes of ricin toxin inhibitors by virtual screening.
    Bai Y; Watt B; Wahome PG; Mantis NJ; Robertus JD
    Toxicon; 2010 Sep; 56(4):526-34. PubMed ID: 20493201
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Structure-based design of ricin inhibitors.
    Jasheway K; Pruet J; Anslyn EV; Robertus JD
    Toxins (Basel); 2011 Oct; 3(10):1233-48. PubMed ID: 22069693
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Pharmacophore modeling, multiple docking, and molecular dynamics studies on Wee1 kinase inhibitors.
    Hu Y; Zhou L; Zhu X; Dai D; Bao Y; Qiu Y
    J Biomol Struct Dyn; 2019 Jul; 37(10):2703-2715. PubMed ID: 30052133
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Identification of novel potential β-N-acetyl-D-hexosaminidase inhibitors by virtual screening, molecular dynamics simulation and MM-PBSA calculations.
    Liu J; Liu M; Yao Y; Wang J; Li Y; Li G; Wang Y
    Int J Mol Sci; 2012; 13(4):4545-4563. PubMed ID: 22605995
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Peptide-conjugated pterins as inhibitors of ricin toxin A.
    Saito R; Pruet JM; Manzano LA; Jasheway K; Monzingo AF; Wiget PA; Kamat I; Anslyn EV; Robertus JD
    J Med Chem; 2013 Jan; 56(1):320-9. PubMed ID: 23214944
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Structure-based design and characterization of novel platforms for ricin and shiga toxin inhibition.
    Miller DJ; Ravikumar K; Shen H; Suh JK; Kerwin SM; Robertus JD
    J Med Chem; 2002 Jan; 45(1):90-8. PubMed ID: 11754581
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ligand based virtual screening to find novel inhibitors against plant toxin Ricin by using the ZINC database.
    Mishra V; Siva Prasad CV
    Bioinformation; 2011; 7(2):46-51. PubMed ID: 21938204
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The X-ray structure of ricin A chain with a novel inhibitor.
    Bai Y; Monzingo AF; Robertus JD
    Arch Biochem Biophys; 2009 Mar; 483(1):23-8. PubMed ID: 19138659
    [TBL] [Abstract][Full Text] [Related]  

  • 13. In silico study directed towards identification of novel high-affinity inhibitors targeting an oncogenic protein: BRD4-BD1.
    Tumdam R; Kumar A; Subbarao N; Balaji BS
    SAR QSAR Environ Res; 2018 Dec; 29(12):975-996. PubMed ID: 30411639
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Identification of Phytochemicals Targeting c-Met Kinase Domain using Consensus Docking and Molecular Dynamics Simulation Studies.
    Aliebrahimi S; Montasser Kouhsari S; Ostad SN; Arab SS; Karami L
    Cell Biochem Biophys; 2018 Jun; 76(1-2):135-145. PubMed ID: 28852971
    [TBL] [Abstract][Full Text] [Related]  

  • 15. In vitro selection of RNA molecules that inhibit the activity of ricin A-chain.
    Hesselberth JR; Miller D; Robertus J; Ellington AD
    J Biol Chem; 2000 Feb; 275(7):4937-42. PubMed ID: 10671531
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site.
    Carra JH; McHugh CA; Mulligan S; Machiesky LM; Soares AS; Millard CB
    BMC Struct Biol; 2007 Nov; 7():72. PubMed ID: 17986339
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Discovery of Novel Tankyrase Inhibitors through Molecular Docking-Based Virtual Screening and Molecular Dynamics Simulation Studies.
    Berishvili VP; Kuimov AN; Voronkov AE; Radchenko EV; Kumar P; Choonara YE; Pillay V; Kamal A; Palyulin VA
    Molecules; 2020 Jul; 25(14):. PubMed ID: 32664504
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Theoretical Investigation of Repurposed Drugs Potentially Capable of Binding to the Catalytic Site and the Secondary Binding Pocket of Subunit A of Ricin.
    França TCC; Botelho FD; Drummond ML; LaPlante SR
    ACS Omega; 2022 Sep; 7(36):32805-32815. PubMed ID: 36120038
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Identification and Biological Evaluation of a Novel Small-Molecule Inhibitor of Ricin Toxin.
    Yang X; Wei A; Cao X; Wang Z; Wan H; Wang B; Peng H
    Molecules; 2024 Mar; 29(7):. PubMed ID: 38611715
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
    Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
    Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.