Publications

Showing entries 201 - 220 out of 232

2007

Grona S, Markt P, Kirchmair J, Schuster D, Langer T, Laggner C. COMP 299-How to improve structure-based pharmacophores by modeling the binding site shape. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Kirchmair J, Ristic S, Eder K, Markt P, Wolber G, Steindl TM et al. COMP 313-Pharmacophore-based virtual screening: How to obtain the best enrichment rates. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Spitzer GM, Wellenzohn B, Laggner C, Langer T, Liedl KR. COMP 475-DNA Minor groove pharmacophores describing sequence specific properties. American Chemical Society. Abstracts of Papers (at the National Meeting). 2007 Aug 19;234.
Maccari R, Paoli P, Ottana R, Jacomelli M, Ciurleo R, Manao G et al. 5-arylidene-2,4-thiazolidinediones as inhibitors of protein tyrosine phosphatases. Bioorganic & Medicinal Chemistry. 2007 Aug 1;15(15):5137-5149. doi: 10.1016/j.bmc.2007.05.027
Schlegel B, Laggner C, Meier R, Langer T, Schnell D, Seifert R et al. Generation of a homology model of the human histamine H-3 receptor for ligand docking and pharmacophore-based screening. Journal of Computer-Aided Molecular Design. 2007 Aug;21(8):437-453. doi: 10.1007/s10822-007-9127-x, 10.1007/s10822-007-9127-x
Maccari R, Ottana R, Ciurleo R, Vigorita MG, Rakowitz D, Steindl T et al. Evaluation of in vitro aldose redutase inhibitory activity of 5-arylidene-2,4-thiazolidinediones. Bioorganic & Medicinal Chemistry Letters. 2007 Jul 15;17(14):3886-3893. doi: 10.1016/j.bmcl.2007.04.109
Collina S, Loddo G, Urbano M, Linati L, Callegari A, Ortuso F et al. Design, synthesis, and SAR analysis of novel selective sigma(1) ligands. Bioorganic & Medicinal Chemistry. 2007 Jan 15;15(2):771-783. doi: 10.1016/j.bmc.2006.10.048
Spitzer GM, Wellenzohn B, Laggner C, Langer T, Liedl KR. DNA minor groove pharmacophores describing sequence specific properties. Journal of Chemical Information and Modeling. 2007;47(4):1580-1589. doi: 10.1021/ci600500v
Kirchmair J, Ristic S, Eder K, Markt P, Wolber G, Laggner C et al. Fast and efficient in silico 3D screening: Toward maximum computational efficiency of pharmacophore-based and shape-based approaches. Journal of Chemical Information and Modeling. 2007;47(6):2182-2196. doi: 10.1021/ci700024q
Steindl TM, Schuster D, Laggner C, Chuang K, Hoffmann RD, Langer T. Parallel screening and activity profiling with HIV protease inhibitor pharmacophore models. Journal of Chemical Information and Modeling. 2007;47(2):563-571. doi: 10.1021/ci600321m
Langer T, Laggner C, Rollinger JM, Stuppner H. Pharmacophore-based screening for the successful identification of bio-active natural products. Chimia. 2007;61(6):350-354. doi: 10.2533/chimia.2007.350

2006

Wolber G, Dornhofer AA, Langer T. Efficient overlay of small organic molecules using 3D pharmacophores. Journal of Computer-Aided Molecular Design. 2006 Dec;20(12):773-788. doi: 10.1007/s10822-006-9078-7
Steindl TM, Schuster D, Wolber G, Laggner C, Langer T. High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening. Journal of Computer-Aided Molecular Design. 2006 Dec;20(12):703-715. doi: 10.1007/s10822-006-9066-y
Cappelli A, Mohr GLP, Giuliani G, Galeazzi S, Anzini M, Mennuni L et al. Further studies on imidazo[4,5-b] pyridine AT(1) angiotensin II receptor antagonists. Effects of the transformation of the 4-phenylquinoline backbone into 4-phenylisoquinolinone or 1-phenylindene scaffolds. Journal of Medicinal Chemistry. 2006 Nov 2;49(22):6451-6464. doi: 10.1021/jm0603163
Steindl TM, Schuster D, Laggner C, Langer T. Parallel screening: A novel concept in pharmacophore modeling and virtual screening. Journal of Chemical Information and Modeling. 2006 Sept 25;46(5):2146-2157. doi: 10.1021/ci6002043
Rollinger JM, Schuster D, Baier E, Ellmerer EP, Langer T, Stuppner H. Taspine: Bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana. Journal of Natural Products. 2006 Sept 22;69(9):1341-1346. doi: 10.1021/np060268p
Bendix F, Adaktylos P, Wolber G, Langer T. CINF 111-2D and 3D Visualization of pharmacophoric ligand-receptor interaction. American Chemical Society. Abstracts of Papers (at the National Meeting). 2006 Sept 10;232.
Schuster D, Langer T. Parallel pharmacophoric profiling as lead optimization tool for the prediction of interactions via the cytochrome P450 enzyme family. American Chemical Society. Abstracts of Papers (at the National Meeting). 2006 Sept 10;232:75-75.
Langer T, Hoffmann RD. Pharmacophore modelling: applications in drug discovery. Expert Opinion on Drug Discovery. 2006 Aug;1(3):261-267. doi: 10.1517/17460441.1.3.261
Kirchmair J, Wolber G, Laggner C, Langer T. Comparative performance assessment of the conformational model generators omega and catalyst: A large-scale survey on the retrieval of protein-bound ligand conformations. Journal of Chemical Information and Modeling. 2006 Jul 24;46(4):1848-1861. doi: 10.1021/ci060084g
Showing entries 201 - 220 out of 232