170 related articles for article (PubMed ID: 17311371)
1. Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening.
Kellenberger E; Springael JY; Parmentier M; Hachet-Haas M; Galzi JL; Rognan D
J Med Chem; 2007 Mar; 50(6):1294-303. PubMed ID: 17311371
[TBL] [Abstract][Full Text] [Related]
2. Comparison of ligand-based and receptor-based virtual screening of HIV entry inhibitors for the CXCR4 and CCR5 receptors using 3D ligand shape matching and ligand-receptor docking.
Pérez-Nueno VI; Ritchie DW; Rabal O; Pascual R; Borrell JI; Teixidó J
J Chem Inf Model; 2008 Mar; 48(3):509-33. PubMed ID: 18298095
[TBL] [Abstract][Full Text] [Related]
3. Binding of 2-aryl-4-(piperidin-1-yl)butanamines and 1,3,4-trisubstituted pyrrolidines to human CCR5: a molecular modeling-guided mutagenesis study of the binding pocket.
Castonguay LA; Weng Y; Adolfsen W; Di Salvo J; Kilburn R; Caldwell CG; Daugherty BL; Finke PE; Hale JJ; Lynch CL; Mills SG; MacCoss M; Springer MS; DeMartino JA
Biochemistry; 2003 Feb; 42(6):1544-50. PubMed ID: 12578367
[TBL] [Abstract][Full Text] [Related]
4. Molecular interactions of CCR5 with major classes of small-molecule anti-HIV CCR5 antagonists.
Kondru R; Zhang J; Ji C; Mirzadegan T; Rotstein D; Sankuratri S; Dioszegi M
Mol Pharmacol; 2008 Mar; 73(3):789-800. PubMed ID: 18096812
[TBL] [Abstract][Full Text] [Related]
5. Modeling the structural basis of human CCR5 chemokine receptor function: from homology model building and molecular dynamics validation to agonist and antagonist docking.
Fano A; Ritchie DW; Carrieri A
J Chem Inf Model; 2006; 46(3):1223-35. PubMed ID: 16711742
[TBL] [Abstract][Full Text] [Related]
6. Structure-based drug discovery using GPCR homology modeling: successful virtual screening for antagonists of the alpha1A adrenergic receptor.
Evers A; Klabunde T
J Med Chem; 2005 Feb; 48(4):1088-97. PubMed ID: 15715476
[TBL] [Abstract][Full Text] [Related]
7. Design, synthesis, and biological evaluation of the combinatorial library with a new spirodiketopiperazine scaffold. Discovery of novel potent and selective low-molecular-weight CCR5 antagonists.
Habashita H; Kokubo M; Hamano S; Hamanaka N; Toda M; Shibayama S; Tada H; Sagawa K; Fukushima D; Maeda K; Mitsuya H
J Med Chem; 2006 Jul; 49(14):4140-52. PubMed ID: 16821774
[TBL] [Abstract][Full Text] [Related]
8. Generation of predictive pharmacophore models for CCR5 antagonists: study with piperidine- and piperazine-based compounds as a new class of HIV-1 entry inhibitors.
Debnath AK
J Med Chem; 2003 Oct; 46(21):4501-15. PubMed ID: 14521412
[TBL] [Abstract][Full Text] [Related]
9. Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape-based virtual screening approach: further evidence for multiple binding sites within the CCR5 extracellular pocket.
Pérez-Nueno VI; Ritchie DW; Borrell JI; Teixidó J
J Chem Inf Model; 2008 Nov; 48(11):2146-65. PubMed ID: 18942828
[TBL] [Abstract][Full Text] [Related]
10. Biological profiling of anti-HIV agents and insight into CCR5 antagonist binding using in silico techniques.
Carrieri A; Pérez-Nueno VI; Fano A; Pistone C; Ritchie DW; Teixidó J
ChemMedChem; 2009 Jul; 4(7):1153-63. PubMed ID: 19544518
[TBL] [Abstract][Full Text] [Related]
11. Structure prediction of GPCRs using piecewise homologs and application to the human CCR5 chemokine receptor: validation through agonist and antagonist docking.
Arumugam K; Crouzy S; Chevigne A; Seguin-Devaux C; Schmit JC
J Biomol Struct Dyn; 2014; 32(8):1274-89. PubMed ID: 23869548
[TBL] [Abstract][Full Text] [Related]
12. An intracellular allosteric site for a specific class of antagonists of the CC chemokine G protein-coupled receptors CCR4 and CCR5.
Andrews G; Jones C; Wreggett KA
Mol Pharmacol; 2008 Mar; 73(3):855-67. PubMed ID: 18042736
[TBL] [Abstract][Full Text] [Related]
13. Electrostatic modeling of peptides derived from the V3-loop of HIV-1 gp120: implications of the interaction with chemokine receptor CCR5.
Morikis D; Rizos AK; Spandidos DA; Krambovitis E
Int J Mol Med; 2007 Mar; 19(3):343-51. PubMed ID: 17273779
[TBL] [Abstract][Full Text] [Related]
14. Computational modeling of human coreceptor CCR5 antagonist as a HIV-1 entry inhibitor: using an integrated homology modeling, docking, and membrane molecular dynamics simulation analysis approach.
Gadhe CG; Kothandan G; Cho SJ
J Biomol Struct Dyn; 2013; 31(11):1251-76. PubMed ID: 23153179
[TBL] [Abstract][Full Text] [Related]
15. Three-dimensional model of the human urotensin-II receptor: docking of human urotensin-II and nonpeptide antagonists in the binding site and comparison with an antagonist pharmacophore model.
Lescot E; Sopkova-de Oliveira Santos J; Colloc'h N; Rodrigo J; Milazzo-Segalas I; Bureau R; Rault S
Proteins; 2008 Oct; 73(1):173-84. PubMed ID: 18409194
[TBL] [Abstract][Full Text] [Related]
16. Syntheses and SAR studies of 4-(heteroarylpiperdin-1-yl-methyl)-pyrrolidin-1-yl-acetic acid antagonists of the human CCR5 chemokine receptor.
Shankaran K; Donnelly KL; Shah SK; Guthikonda RN; MacCoss M; Mills SG; Gould SL; Malkowitz L; Siciliano SJ; Springer MS; Carella A; Carver G; Hazuda D; Holmes K; Kessler J; Lineberger J; Miller MD; Emini EA; Schleif WA
Bioorg Med Chem Lett; 2004 Jul; 14(13):3419-24. PubMed ID: 15177445
[TBL] [Abstract][Full Text] [Related]
17. Structural basis for ligand recognition at the benzodiazepine binding site of GABAA alpha 3 receptor, and pharmacophore-based virtual screening approach.
Vijayan RS; Ghoshal N
J Mol Graph Model; 2008 Oct; 27(3):286-98. PubMed ID: 18565775
[TBL] [Abstract][Full Text] [Related]
18. Binding site exploration of CCR5 using in silico methodologies: a 3D-QSAR approach.
Gadhe CG; Kothandan G; Cho SJ
Arch Pharm Res; 2013 Jan; 36(1):6-31. PubMed ID: 23325486
[TBL] [Abstract][Full Text] [Related]
19. Three-dimensional QSAR analyses of 1,3,4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors.
Zhuo Y; Kong R; Cong XJ; Chen WZ; Wang CX
Eur J Med Chem; 2008 Dec; 43(12):2724-34. PubMed ID: 18538451
[TBL] [Abstract][Full Text] [Related]
20. CCR5 receptor antagonists: discovery and SAR of novel 4-hydroxypiperidine derivatives.
Lu SF; Chen B; Davey D; Dunning L; Jaroch S; May K; Onuffer J; Phillips G; Subramanyam B; Tseng JL; Wei RG; Wei M; Ye B
Bioorg Med Chem Lett; 2007 Apr; 17(7):1883-7. PubMed ID: 17314043
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
