Publications
Showing entries 141 - 160 out of 232
2016
Wieder M, Perricone U, Seidel T, Boresch S, Langer T. Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations. Monatshefte für Chemie. 2016 Mar;147(3):553-563. doi: 10.1007/s00706-016-1674-1
Wieder M, Perricone U, Boresch S, Seidel T, Langer T. Evaluating the stability of pharmacophore features using molecular dynamics simulations. Biochemical and Biophysical Research Communications. 2016 Feb 12;470(3):685-689. doi: 10.1016/j.bbrc.2016.01.081
Pace V, Castoldi L, Mamuye AD, Langer T, Holzer W. Chemoselective Addition of Halomethyllithiums to Functionalized Isatins: A Straightforward Access to Spiro-Epoxyoxindoles. Advanced Synthesis & Catalysis. 2016 Jan 21;358(2):172-177. doi: 10.1002/adsc.201500840
Pace V, Murgia I, Westermayer S, Langer T, Holzer W. Highly efficient synthesis of functionalized alpha-oxyketones via Weinreb amides homologation with alpha-oxygenated organolithiums. Chemical Communications. 2016;52(48):7584-7587. doi: 10.1039/c6cc03532a
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
Showing entries 141 - 160 out of 232