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258 related items for PubMed ID: 16711762
21. Receptor-guided alignment-based comparative 3D-QSAR studies of benzylidene malonitrile tyrphostins as EGFR and HER-2 kinase inhibitors. Kamath S, Buolamwini JK. J Med Chem; 2003 Oct 23; 46(22):4657-68. PubMed ID: 14561085 [Abstract] [Full Text] [Related]
22. 3D-QSAR studies of HDACs inhibitors using pharmacophore-based alignment. Chen Y, Li H, Tang W, Zhu C, Jiang Y, Zou J, Yu Q, You Q. Eur J Med Chem; 2009 Jul 23; 44(7):2868-76. PubMed ID: 19136179 [Abstract] [Full Text] [Related]
23. Two- and three-dimensional quantitative structure-activity relationships for a series of purine nucleoside phosphorylase inhibitors. Castilho MS, Postigo MP, de Paula CB, Montanari CA, Oliva G, Andricopulo AD. Bioorg Med Chem; 2006 Jan 15; 14(2):516-27. PubMed ID: 16203153 [Abstract] [Full Text] [Related]
24. 3D-QSAR and docking studies of aldehyde inhibitors of human cathepsin K. Pan X, Tan N, Zeng G, Han H, Huang H. Bioorg Med Chem; 2006 Apr 15; 14(8):2771-8. PubMed ID: 16377193 [Abstract] [Full Text] [Related]
25. 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 13; 48(1):213-23. PubMed ID: 15634015 [Abstract] [Full Text] [Related]
26. 3D-QSAR studies of boron-containing dipeptides as proteasome inhibitors with CoMFA and CoMSIA methods. Zhu YQ, Lei M, Lu AJ, Zhao X, Yin XJ, Gao QZ. Eur J Med Chem; 2009 Apr 13; 44(4):1486-99. PubMed ID: 18771818 [Abstract] [Full Text] [Related]
27. Inhibitory mode of N-phenyl-4-pyrazolo[1,5-b] pyridazin-3-ylpyrimidin-2-amine series derivatives against GSK-3: molecular docking and 3D-QSAR analyses. Xiao J, Guo Z, Guo Y, Chu F, Sun P. Protein Eng Des Sel; 2006 Feb 13; 19(2):47-54. PubMed ID: 16339768 [Abstract] [Full Text] [Related]
28. Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid synthase inhibitors by integrating molecular docking, CoMFA, CoMSIA, and DFT calculations. He YZ, Li YX, Zhu XL, Xi Z, Niu C, Wan J, Zhang L, Yang GF. J Chem Inf Model; 2007 Feb 13; 47(6):2335-44. PubMed ID: 17887745 [Abstract] [Full Text] [Related]
29. 3D QSAR comparative molecular field analysis on nonsteroidal farnesoid X receptor activators. Honório KM, Garratt RC, Polikarpov I, Andricopulo AD. J Mol Graph Model; 2007 Mar 13; 25(6):921-7. PubMed ID: 17055759 [Abstract] [Full Text] [Related]
30. Computational design of novel fullerene analogues as potential HIV-1 PR inhibitors: Analysis of the binding interactions between fullerene inhibitors and HIV-1 PR residues using 3D QSAR, molecular docking and molecular dynamics simulations. Durdagi S, Mavromoustakos T, Chronakis N, Papadopoulos MG. Bioorg Med Chem; 2008 Dec 01; 16(23):9957-74. PubMed ID: 18996019 [Abstract] [Full Text] [Related]
31. Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies. Yuan M, Luo M, Song Y, Xu Q, Wang X, Cao Y, Bu X, Ren Y, Hu X. Bioorg Med Chem; 2011 Feb 01; 19(3):1189-96. PubMed ID: 21237663 [Abstract] [Full Text] [Related]
32. Binding interaction analysis of the active site and its inhibitors for neuraminidase (N1 subtype) of human influenza virus by the integration of molecular docking, FMO calculation and 3D-QSAR CoMFA modeling. Zhang Q, Yang J, Liang K, Feng L, Li S, Wan J, Xu X, Yang G, Liu D, Yang S. J Chem Inf Model; 2008 Sep 01; 48(9):1802-12. PubMed ID: 18707092 [Abstract] [Full Text] [Related]
34. Combined 3D-QSAR modeling and molecular docking study on indolinone derivatives as inhibitors of 3-phosphoinositide-dependent protein kinase-1. AbdulHameed MD, Hamza A, Liu J, Zhan CG. J Chem Inf Model; 2008 Sep 01; 48(9):1760-72. PubMed ID: 18717540 [Abstract] [Full Text] [Related]
35. Application of 3D-QSAR in the rational design of receptor ligands and enzyme inhibitors. Mor M, Rivara S, Lodola A, Lorenzi S, Bordi F, Plazzi PV, Spadoni G, Bedini A, Duranti A, Tontini A, Tarzia G. Chem Biodivers; 2005 Nov 01; 2(11):1438-51. PubMed ID: 17191945 [Abstract] [Full Text] [Related]
36. Cluster analysis and two-dimensional quantitative structure-activity relationship (2D-QSAR) of Pseudomonas aeruginosa deacetylase LpxC inhibitors. Kadam RU, Roy N. Bioorg Med Chem Lett; 2006 Oct 01; 16(19):5136-43. PubMed ID: 16879960 [Abstract] [Full Text] [Related]
37. 3D QSAR models built on structure-based alignments of Abl tyrosine kinase inhibitors. Falchi F, Manetti F, Carraro F, Naldini A, Maga G, Crespan E, Schenone S, Bruno O, Brullo C, Botta M. ChemMedChem; 2009 Jun 01; 4(6):976-87. PubMed ID: 19326384 [Abstract] [Full Text] [Related]
38. Influence of conformation on GRIND-based three-dimensional quantitative structure-activity relationship (3D-QSAR). Caron G, Ermondi G. J Med Chem; 2007 Oct 04; 50(20):5039-42. PubMed ID: 17760433 [Abstract] [Full Text] [Related]
39. 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Xue CB, Zhang L, Luo WC, Xie XY, Jiang L, Xiao T. Bioorg Med Chem; 2007 Mar 01; 15(5):2006-15. PubMed ID: 17258462 [Abstract] [Full Text] [Related]
40. 3-Heterocycle-phenyl N-alkylcarbamates as FAAH inhibitors: design, synthesis and 3D-QSAR studies. Käsnänen H, Myllymäki MJ, Minkkilä A, Kataja AO, Saario SM, Nevalainen T, Koskinen AM, Poso A. ChemMedChem; 2010 Feb 01; 5(2):213-31. PubMed ID: 20024981 [Abstract] [Full Text] [Related] Page: [Previous] [Next] [New Search]