BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

120 related articles for article (PubMed ID: 28623781)

  • 1. Inhibition activities of catechol diether based non-nucleoside inhibitors against the HIV reverse transcriptase variants: Insights from molecular docking and ONIOM calculations.
    Samanta PN; Das KK
    J Mol Graph Model; 2017 Aug; 75():294-305. PubMed ID: 28623781
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Torsional flexibility of undecorated catechol diether compound as potent NNRTI targeting HIV-1 reverse transcriptase.
    Somboon T; Saparpakorn P; Hannongbua S
    J Mol Graph Model; 2019 Jan; 86():286-297. PubMed ID: 30445408
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Structure-based evaluation of non-nucleoside inhibitors with improved potency and solubility that target HIV reverse transcriptase variants.
    Frey KM; Puleo DE; Spasov KA; Bollini M; Jorgensen WL; Anderson KS
    J Med Chem; 2015 Mar; 58(6):2737-45. PubMed ID: 25700160
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A study of the binding energies of efavirenz to wild-type and K103N/Y181C HIV-1 reverse transcriptase based on the ONIOM method.
    Srivab P; Hannongbua S
    ChemMedChem; 2008 May; 3(5):803-11. PubMed ID: 18338369
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculations.
    Samanta PN; Das KK
    J Mol Graph Model; 2016 Jan; 63():38-48. PubMed ID: 26619075
    [TBL] [Abstract][Full Text] [Related]  

  • 6. A pharmacophore docking algorithm and its application to the cross-docking of 18 HIV-NNRTI's in their binding pockets.
    Daeyaert F; de Jonge M; Heeres J; Koymans L; Lewi P; Vinkers MH; Janssen PA
    Proteins; 2004 Feb; 54(3):526-33. PubMed ID: 14748000
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Exploring novel HIV-1 reverse transcriptase inhibitors with drug-resistant mutants: A double mutant surprise.
    Hollander K; Chan AH; Frey KM; Hunker O; Ippolito JA; Spasov KA; Yeh YJ; Jorgensen WL; Ho YC; Anderson KS
    Protein Sci; 2023 Dec; 32(12):e4814. PubMed ID: 37861472
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Docking of non-nucleoside inhibitors: neotripterifordin and its derivatives to HIV-1 reverse transcriptase.
    Zhou Z; Madrid M; Madura JD
    Proteins; 2002 Dec; 49(4):529-42. PubMed ID: 12402361
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Docking analysis and resistance evaluation of clinically relevant mutations associated with the HIV-1 non-nucleoside reverse transcriptase inhibitors nevirapine, efavirenz and etravirine.
    Alcaro S; Alteri C; Artese A; Ceccherini-Silberstein F; Costa G; Ortuso F; Bertoli A; Forbici F; Santoro MM; Parrotta L; Flandre P; Masquelier B; Descamps D; Calvez V; Marcelin AG; Perno CF; Sing T; Svicher V
    ChemMedChem; 2011 Dec; 6(12):2203-13. PubMed ID: 21953939
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase.
    Carlsson J; Boukharta L; Aqvist J
    J Med Chem; 2008 May; 51(9):2648-56. PubMed ID: 18410085
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Novel piperidinylamino-diarylpyrimidine derivatives with dual structural conformations as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.
    Chen X; Liu X; Meng Q; Wang D; Liu H; De Clercq E; Pannecouque C; Balzarini J; Liu X
    Bioorg Med Chem Lett; 2013 Dec; 23(24):6593-7. PubMed ID: 24239481
    [TBL] [Abstract][Full Text] [Related]  

  • 12. An in-silico approach aimed to clarify the role of Y181C and K103N HIV-1 reverse transcriptase mutations versus Indole Aryl Sulphones.
    Massarotti A; Coluccia A
    J Mol Graph Model; 2016 Jan; 63():49-56. PubMed ID: 26650686
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Flexible docking of pyridinone derivatives into the non-nucleoside inhibitor binding site of HIV-1 reverse transcriptase.
    Medina-Franco JL; Rodríguez-Morales S; Juárez-Gordiano C; Hernández-Campos A; Jiménez-Barbero J; Castillo R
    Bioorg Med Chem; 2004 Dec; 12(23):6085-95. PubMed ID: 15519154
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Dual inhibitor design for HIV-1 reverse transcriptase and integrase enzymes: a molecular docking study.
    Ercan S; Şenyiğit B; Şenses Y
    J Biomol Struct Dyn; 2020 Feb; 38(2):573-580. PubMed ID: 31787027
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Bridge water mediates nevirapine binding to wild type and Y181C HIV-1 reverse transcriptase--evidence from molecular dynamics simulations and MM-PBSA calculations.
    Treesuwan W; Hannongbua S
    J Mol Graph Model; 2009; 27(8):921-9. PubMed ID: 19414275
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Design of nevirapine derivatives insensitive to the K103N and Y181C HIV-1 reverse transcriptase mutants.
    Saparpakorn P; Hannongbua S; Rognan D
    SAR QSAR Environ Res; 2006 Apr; 17(2):183-94. PubMed ID: 16644557
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Arylthiopyrrole (AThP) derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitors: synthesis, structure-activity relationships, and docking studies (part 2).
    Lavecchia A; Costi R; Artico M; Miele G; Novellino E; Bergamini A; Crespan E; Maga G; Di Santo R
    ChemMedChem; 2006 Dec; 1(12):1379-90. PubMed ID: 17089434
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Docking and 3-D QSAR studies on indolyl aryl sulfones. Binding mode exploration at the HIV-1 reverse transcriptase non-nucleoside binding site and design of highly active N-(2-hydroxyethyl)carboxamide and N-(2-hydroxyethyl)carbohydrazide derivatives.
    Ragno R; Artico M; De Martino G; La Regina G; Coluccia A; Di Pasquali A; Silvestri R
    J Med Chem; 2005 Jan; 48(1):213-23. PubMed ID: 15634015
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Molecular insight on the binding of NNRTI to K103N mutated HIV-1 RT: molecular dynamics simulations and dynamic pharmacophore analysis.
    Nizami B; Sydow D; Wolber G; Honarparvar B
    Mol Biosyst; 2016 Oct; 12(11):3385-3395. PubMed ID: 27722739
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Docking experiments in the flexible non-nucleoside inhibitor binding pocket of HIV-1 reverse transcriptase.
    Titmuss SJ; Keller PA; Griffith R
    Bioorg Med Chem; 1999 Jun; 7(6):1163-70. PubMed ID: 10428388
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.