BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

624 related articles for article (PubMed ID: 17049234)

  • 41. 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; 47(6):2335-44. PubMed ID: 17887745
    [TBL] [Abstract][Full Text] [Related]  

  • 42. Three-dimensional quantitative structure-activity relationship (3D-QSAR) analyses of choline acetyltransferase inhibitors.
    Chandrasekaran V; McGaughey GB; Cavallito CJ; Bowen JP
    J Mol Graph Model; 2004 Sep; 23(1):69-76. PubMed ID: 15331055
    [TBL] [Abstract][Full Text] [Related]  

  • 43. Molecular docking and 3D-QSAR studies of Yersinia protein tyrosine phosphatase YopH inhibitors.
    Hu X; Stebbins CE
    Bioorg Med Chem; 2005 Feb; 13(4):1101-9. PubMed ID: 15670918
    [TBL] [Abstract][Full Text] [Related]  

  • 44. Combined 3D-QSAR, molecular docking, and molecular dynamics study of tacrine derivatives as potential acetylcholinesterase (AChE) inhibitors of Alzheimer's disease.
    Zhou A; Hu J; Wang L; Zhong G; Pan J; Wu Z; Hui A
    J Mol Model; 2015 Oct; 21(10):277. PubMed ID: 26438408
    [TBL] [Abstract][Full Text] [Related]  

  • 45. Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE).
    Araújo JQ; de Brito MA; Hoelz LV; de Alencastro RB; Castro HC; Rodrigues CR; Albuquerque MG
    Eur J Med Chem; 2011 Jan; 46(1):39-51. PubMed ID: 21074294
    [TBL] [Abstract][Full Text] [Related]  

  • 46. Insight into the structural requirements of proton pump inhibitors based on CoMFA and CoMSIA studies.
    Nayana MR; Sekhar YN; Nandyala H; Muttineni R; Bairy SK; Singh K; Mahmood SK
    J Mol Graph Model; 2008 Oct; 27(3):233-43. PubMed ID: 18676164
    [TBL] [Abstract][Full Text] [Related]  

  • 47. Comparative molecular field analysis of flavonoid inhibitors of the PIM-1 kinase.
    Holder S; Lilly M; Brown ML
    Bioorg Med Chem; 2007 Oct; 15(19):6463-73. PubMed ID: 17637507
    [TBL] [Abstract][Full Text] [Related]  

  • 48. 3D-QSAR analysis on benzazole derivatives as eukaryotic topoisomerase II inhibitors by using comparative molecular field analysis method.
    Temiz-Arpaci O; Tekiner-Gulbas B; Yildiz I; Aki-Sener E; Yalcin I
    Bioorg Med Chem; 2005 Dec; 13(23):6354-9. PubMed ID: 15993083
    [TBL] [Abstract][Full Text] [Related]  

  • 49. Combined 3D-QSAR modeling and molecular docking study on quinoline derivatives as inhibitors of P-selectin.
    Zeng H; Cao R; Zhang H
    Chem Biol Drug Des; 2009 Dec; 74(6):596-610. PubMed ID: 19843078
    [TBL] [Abstract][Full Text] [Related]  

  • 50. 4-Aryl-4-oxo-N-phenyl-2-aminylbutyramides as acetyl- and butyrylcholinesterase inhibitors. Preparation, anticholinesterase activity, docking study, and 3D structure-activity relationship based on molecular interaction fields.
    Vitorović-Todorović MD; Juranić IO; Mandić LM; Drakulić BJ
    Bioorg Med Chem; 2010 Feb; 18(3):1181-93. PubMed ID: 20061157
    [TBL] [Abstract][Full Text] [Related]  

  • 51. A docking score function for estimating ligand-protein interactions: application to acetylcholinesterase inhibition.
    Guo J; Hurley MM; Wright JB; Lushington GH
    J Med Chem; 2004 Oct; 47(22):5492-500. PubMed ID: 15481986
    [TBL] [Abstract][Full Text] [Related]  

  • 52. Molecular Modeling Studies of Anti-Alzheimer Agents by QSAR, Molecular Docking and Molecular Dynamics Simulations Techniques.
    Abdizadeh R; Hadizadeh F; Abdizadeh T
    Med Chem; 2020; 16(7):903-927. PubMed ID: 31385775
    [TBL] [Abstract][Full Text] [Related]  

  • 53. GA strategy for variable selection in QSAR studies: application of GA-based region selection to a 3D-QSAR study of acetylcholinesterase inhibitors.
    Hasegawa K; Kimura T; Funatsu K
    J Chem Inf Comput Sci; 1999; 39(1):112-20. PubMed ID: 10094610
    [TBL] [Abstract][Full Text] [Related]  

  • 54. 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; 19(2):47-54. PubMed ID: 16339768
    [TBL] [Abstract][Full Text] [Related]  

  • 55. 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; 44(4):1486-99. PubMed ID: 18771818
    [TBL] [Abstract][Full Text] [Related]  

  • 56. 3D-QSAR study of ring-substituted quinoline class of anti-tuberculosis agents.
    Nayyar A; Malde A; Jain R; Coutinho E
    Bioorg Med Chem; 2006 Feb; 14(3):847-56. PubMed ID: 16214351
    [TBL] [Abstract][Full Text] [Related]  

  • 57. 3D-QSAR studies of some reversible Acetyl cholinesterase inhibitors based on CoMFA and ligand protein interaction fingerprints using PC-LS-SVM and PLS-LS-SVM.
    Ghafouri H; Ranjbar M; Sakhteman A
    Comput Biol Chem; 2017 Aug; 69():19-27. PubMed ID: 28544873
    [TBL] [Abstract][Full Text] [Related]  

  • 58. Comparison of estrogen receptor alpha and beta subtypes based on comparative molecular field analysis (CoMFA).
    Xing L; Welsh WJ; Tong W; Perkins R; Sheehan DM
    SAR QSAR Environ Res; 1999; 10(2-3):215-37. PubMed ID: 10491851
    [TBL] [Abstract][Full Text] [Related]  

  • 59. CoMFA 3D-QSAR analysis of HIV-1 RT nonnucleoside inhibitors, TIBO derivatives based on docking conformation and alignment.
    Zhou Z; Madura JD
    J Chem Inf Comput Sci; 2004; 44(6):2167-78. PubMed ID: 15554687
    [TBL] [Abstract][Full Text] [Related]  

  • 60. Synthesis, in vitro assay, and molecular modeling of new piperidine derivatives having dual inhibitory potency against acetylcholinesterase and Abeta1-42 aggregation for Alzheimer's disease therapeutics.
    Kwon YE; Park JY; No KT; Shin JH; Lee SK; Eun JS; Yang JH; Shin TY; Kim DK; Chae BS; Leem JY; Kim KH
    Bioorg Med Chem; 2007 Oct; 15(20):6596-607. PubMed ID: 17681794
    [TBL] [Abstract][Full Text] [Related]  

    [Previous]   [Next]    [New Search]
    of 32.