Publications

Showing entries 161 - 180 out of 240

2013

Langer T, Bryant SD. Computational methods for drug target profiling and polypharmacology. In In Silico Drug Discovery and Design. Future Science. 2013 doi: 10.4155/EBO.13.417
Koulouridi E, Langer T, Bryant SD, Mavromoustakos T. Rational approach for the discovery of lead-compounds using pharmacophore models. The use of Drug Databank zinc in virtual screening. Pharmakeutikē. 2013.

2012

Scior T, Bender A, Tresadern G, Medina-Franco JL, Martinez-Mayorga K, Langer T et al. Recognizing Pitfalls in Virtual Screening: A Critical Review. Journal of Chemical Information and Modeling. 2012 Apr;52(4):867-881. doi: 10.1021/ci200528d

2011

Langer T. Pharmacophores for medicinal chemists: a personal view. Future Medicinal Chemistry. 2011 Jun;3(8):901-904. doi: 10.4155/FMC.11.34
Schuster D, Kowalik D, Kirchmair J, Laggner C, Markt P, Aebischer-Gumy C et al. Identification of chemically diverse, novel inhibitors of 17 beta-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening. The Journal of Steroid Biochemistry and Molecular Biology. 2011 May;125(1-2):148-161. doi: 10.1016/j.jsbmb.2011.01.016
Gruber P, Rechfeld F, Kirchmair J, Hauser N, Boehler M, Garczarczyk D et al. Barbituric acid derivative BAS 02104951 inhibits PKC epsilon, PKC eta, PKC epsilon/RACK2 interaction, Elk-1 phosphorylation in HeLa and PKC epsilon and eta translocation in PC3 cells following TPA-induction. Journal of Biochemistry. 2011 Mar;149(3):331-336. doi: 10.1093/jb/mvq147

2010

Langer T. Discovery of PPIs using chemical feature-based pharmacophore models. American Chemical Society. Abstracts of Papers (at the National Meeting). 2010 Aug 22;240.
Hallenborg P, Jorgensen C, Petersen RK, Feddersen S, Araujo P, Markt P et al. Epidermis-Type Lipoxygenase 3 Regulates Adipocyte Differentiation and Peroxisome Proliferator-Activated Receptor gamma Activity. Molecular and Cellular Biology. 2010 Aug;30(16):4077-4091. doi: 10.1128/MCB.01806-08
Schuster D, Spetea M, Music M, Rief S, Fink M, Kirchmair J et al. Morphinans and isoquinolines: Acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors. Bioorganic & Medicinal Chemistry. 2010 Jul 15;18(14):5071-5080. doi: 10.1016/j.bmc.2010.05.071
Chimenti F, Secci D, Bolasco A, Chimenti P, Granese A, Carradori S et al. Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors. Bioorganic & Medicinal Chemistry. 2010 Jul 15;18(14):5063-5070. doi: 10.1016/j.bmc.2010.05.070
Langer T. Pharmacophores in Drug Research. Molecular Informatics. 2010 Jul;29(6-7):470-475. doi: 10.1002/minf.201000022
Nashev LG, Schuster D, Laggner C, Sodha S, Langer T, Wolber G et al. The UV-filter benzophenone-1 inhibits 17 beta-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicals. Biochemical Pharmacology. 2010 Apr 15;79(8):1189-1199. doi: 10.1016/j.bcp.2009.12.005
Schuster D, Kern L, Hristozov DP, Terfloth L, Bienfait B, Laggner C et al. Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors. Combinatorial Chemistry & High Throughput Screening. 2010 Jan;13(1):54-66. doi: 10.2174/138620710790218212
Seidel T, Ibis G, Bendix F, Wolber G. Strategies for 3D pharmacophore-based virtual screening. Drug Discovery Today: Technologies. 2010;7(4):e221-e228. doi: 10.1016/j.ddtec.2010.11.004

2009

Langer T, Hoffmann R, Bryant S, Lesur B. Hit finding: towards 'smarter' approaches. Current Opinion in Pharmacology. 2009 Oct;9(5):589-593. doi: 10.1016/j.coph.2009.06.001
Maccari R, Ottana R, Ciurleo R, Paoli P, Manao G, Camici G et al. Structure-Based Optimization of Benzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B and Low Molecular Weight Protein Tyrosine Phosphatase. ChemMedChem: chemistry enabling drug discovery. 2009 Jun;4(6):957-962. doi: 10.1002/cmdc.200800427
Forghieri M, Laggner C, Paoli P, Langer T, Manao G, Camici G et al. Synthesis, activity and molecular modeling of a new series of chromones as low molecular weight protein tyrosine phosphatase inhibitors. Bioorganic & Medicinal Chemistry. 2009 Apr 1;17(7):2658-2672. doi: 10.1016/j.bmc.2009.02.060
Spitzer GM, Wellenzohn B, Markt P, Kirchmair J, Langer T, Liedl KR. Hydrogen-Bonding Patterns of Minor Groove-Binder-DNA Complexes Reveal Criteria for Discovery of New Scaffolds. Journal of Chemical Information and Modeling. 2009 Apr;49(4):1063-1069. doi: 10.1021/ci800455f
Ottana R, Maccari R, Ciurleo R, Paoli P, Jacomelli M, Manao G et al. 5-Arylidene-2-phenylimino-4-thiazolidinones as PTP1B and LMW-PTP inhibitors. Bioorganic & Medicinal Chemistry. 2009 Mar 1;17(5):1928-1937. doi: 10.1016/j.bmc.2009.01.044
Rollinger JM, Schuster D, Danzi B, Schwaiger S, Markt P, Schmidtke M et al. Erratum: In silico target fishing for rationalized ligand discovery exemplified on constituents of Ruto graveolens L. Planta Medica: natural products and medicinal plant research. 2009 Feb;75(3):293. doi: 10.1055/s-0029-1202470
Showing entries 161 - 180 out of 240