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Journal Abstract Search

89 related items for PubMed ID: 15317459

  • 21. Structure-based rational quest for potential novel inhibitors of human HMG-CoA reductase by combining CoMFA 3D QSAR modeling and virtual screening.
    Zhang QY, Wan J, Xu X, Yang GF, Ren YL, Liu JJ, Wang H, Guo Y.
    J Comb Chem; 2007; 9(1):131-8. PubMed ID: 17206841
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  • 22. Virtual screening with flexible docking and COMBINE-based models. Application to a series of factor Xa inhibitors.
    Murcia M, Ortiz AR.
    J Med Chem; 2004 Feb 12; 47(4):805-20. PubMed ID: 14761183
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  • 23. Comparative binding energy analysis considering multiple receptors: a step toward 3D-QSAR models for multiple targets.
    Murcia M, Morreale A, Ortiz AR.
    J Med Chem; 2006 Oct 19; 49(21):6241-53. PubMed ID: 17034130
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  • 26. Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE.
    Alonso D, Dorronsoro I, Rubio L, Muñoz P, García-Palomero E, Del Monte M, Bidon-Chanal A, Orozco M, Luque FJ, Castro A, Medina M, Martínez A.
    Bioorg Med Chem; 2005 Dec 15; 13(24):6588-97. PubMed ID: 16230018
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  • 27. Structural analysis of carboline derivatives as inhibitors of MAPKAP K2 using 3D QSAR and docking studies.
    Nayana RS, Bommisetty SK, Singh K, Bairy SK, Nunna S, Pramod A, Muttineni R.
    J Chem Inf Model; 2009 Jan 15; 49(1):53-67. PubMed ID: 19119997
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  • 30. 3D-chiral quadratic indices of the 'molecular pseudograph's atom adjacency matrix' and their application to central chirality codification: classification of ACE inhibitors and prediction of sigma-receptor antagonist activities.
    Ponce YM, Diaz HG, Zaldivar VR, Torrens F, Castro EA.
    Bioorg Med Chem; 2004 Oct 15; 12(20):5331-42. PubMed ID: 15388160
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  • 31. Treating chemical diversity in QSAR analysis: modeling diverse HIV-1 integrase inhibitors using 4D fingerprints.
    Iyer M, Hopfinger AJ.
    J Chem Inf Model; 2007 Oct 15; 47(5):1945-60. PubMed ID: 17661457
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  • 32. Structural bioinformatics and QSAR analysis applied to the acetylcholinesterase and bispyridinium aldoximes.
    Mager PP, Weber A.
    Drug Des Discov; 2003 Oct 15; 18(4):127-50. PubMed ID: 15553925
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  • 33. Structure-activity relationships and binding mode in the human acetylcholinesterase active site of pseudo-irreversible inhibitors related to xanthostigmine.
    Rizzo S, Cavalli A, Ceccarini L, Bartolini M, Belluti F, Bisi A, Andrisano V, Recanatini M, Rampa A.
    ChemMedChem; 2009 Apr 15; 4(4):670-9. PubMed ID: 19222043
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  • 34. Insights into the structural requirements of farnesyltransferase inhibitors as potential anti-tumor agents based on 3D-QSAR CoMFA and CoMSIA models.
    Puntambekar DS, Giridhar R, Yadav MR.
    Eur J Med Chem; 2008 Jan 15; 43(1):142-54. PubMed ID: 17448576
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  • 35. Interactions between cardiac glycosides and sodium/potassium-ATPase: three-dimensional structure-activity relationship models for ligand binding to the E2-Pi form of the enzyme versus activity inhibition.
    Paula S, Tabet MR, Ball WJ.
    Biochemistry; 2005 Jan 18; 44(2):498-510. PubMed ID: 15641774
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  • 36. Quantitative structure-activity relationships for a series of inhibitors of cruzain from Trypanosoma cruzi: molecular modeling, CoMFA and CoMSIA studies.
    Trossini GH, Guido RV, Oliva G, Ferreira EI, Andricopulo AD.
    J Mol Graph Model; 2009 Aug 18; 28(1):3-11. PubMed ID: 19376735
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  • 37. 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 18; 48(9):1802-12. PubMed ID: 18707092
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  • 38. Comparative QSAR studies of CYP1A2 inhibitor flavonoids using 2D and 3D descriptors.
    Roy K, Roy PP.
    Chem Biol Drug Des; 2008 Nov 18; 72(5):370-82. PubMed ID: 19012573
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  • 39. Insight into the structural requirements of urokinase-type plasminogen activator inhibitors based on 3D QSAR CoMFA/CoMSIA models.
    Bhongade BA, Gadad AK.
    J Med Chem; 2006 Jan 26; 49(2):475-89. PubMed ID: 16420035
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  • 40. 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
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