Publications

Showing entries 141 - 160 out of 228

2015

Pace V, Castoldi L, Monticelli S, Safranek S, Roller A, Langer T et al. A Robust, Eco-Friendly Access to Secondary Thioamides through the Addition of Organolithium Reagents to Isothiocyanates in Cyclopentyl Methyl Ether (CPME). Chemistry: A European Journal. 2015 Nov 20;21(52):18966-18970. doi: 10.1002/chem.201504247
Luger D, Poli G, Wieder M, Stadler M, Ke S, Ernst M et al. Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site-directed mutagenesis. British Journal of Pharmacology. 2015 Nov;172(22):5403-5413. doi: 10.1111/bph.13329, 10.1111/bph.13329
Polishchuk PG, Samoylenko GV, Khristova TM, Krysko OL, Kabanova TA, Kabanov VM et al. Design, Virtual Screening, and Synthesis of Antagonists of αiIbβ3 as Antiplatelet Agents. Journal of Medicinal Chemistry. 2015 Oct 8;58(19):7681-7694. doi: 10.1021/acs.jmedchem.5b00865
Grienke U, Kaserer T, Pfluger F, Mair CE, Langer T, Schuster D et al. Accessing biological actions of Ganoderma secondary metabolites by in silico profiling. Phytochemistry. 2015 Jun;114:114-124. doi: 10.1016/j.phytochem.2014.10.010
Grienke U, Kaserer T, Pfluger F, Mair CE, Schmidtke M, Langer T et al. In silico pharmacological profiling of Ganoderma secondary metabolites to unravel the polypharmacological nature of Reishi. Planta Medica: natural products and medicinal plant research. 2015;81.
Kellici T, Ntountaniotis D, Vrontaki E, Liapakis G, Moutevelis-Minakakis P, Kokotos G et al. Rational Drug Design Paradigms: The Odyssey for Designing Better Drugs. Combinatorial Chemistry & High Throughput Screening. 2015;18(3):238-256. doi: 10.2174/1386207318666150305125638

2014

Rechfeld F, Gruber P, Kirchmair J, Boehler M, Hauser N, Hechenberger G et al. Thienoquinolines as novel disruptors of the PKCε/RACK2 protein-protein interaction. Journal of Medicinal Chemistry. 2014 Apr 24;57(8):3235-3246. doi: 10.1021/jm401605c

2013

Bryant S, Langer T. Data Mining Using Ligand Profiling and Target Fishing. In Hoffman R, Gohier A, Pospisil P, editors, Data Mining in Drug Discovery. Wiley VCH. 2013. (Methods and Principles in Medicinal Chemistry). doi: 10.1002/9783527655984
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
Showing entries 141 - 160 out of 228