Publications

Showing entries 141 - 160 out of 239

2016

Stular T, Lesnik S, Rozman K, Schink J, Zdouc M, Ghysels A et al. Discovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction. Journal of Medicinal Chemistry. 2016 Nov 29;59(24):11069-11078. doi: 10.1021/acs.jmedchem.6b01277
Monticelli S, Parisi G, Rui M, de la Vega-Hernandez K, Murgia I, Senatore R et al. The Use of the Comins-Meyers Amide in Synthetic Chemistry: an Overview. Natural Product Communications: an international journal for communications and reviews. 2016 Nov;11(11):1729-1732.
Saroja SR, Aher YD, Kalaba P, Aher NY, Zehl M, Korz V et al. A novel heterocyclic compound targeting the dopamine transporter improves performance in the radial arm maze and modulates dopamine receptors D1-D3. Behavioural Brain Research. 2016 Oct 1;312:127-137. doi: 10.1016/j.bbr.2016.06.011
Wieder M, Perricone U, Seidel T, Langer T. Pharmacophore models derived from molecular dynamics simulations of protein-ligand complexes: A case study. Natural Product Communications. 2016 Oct;11(10):1499-1504. doi: 10.1177/1934578x1601101019
Pace V, De La Vega-Hernández K, Urban E, Langer T. Chemoselective Schwartz Reagent Mediated Reduction of Isocyanates to Formamides. Organic Letters. 2016 Jun 3;18(11):2750-2753. doi: 10.1021/acs.orglett.6b01226
Laurence DJ, Morice C, Florence C, Gay J, Langer T, Frantz MC et al. Fragment pharmacophore-based in silico Screening: a powerful Approach for efficient lead discovery. MedChemComm. 2016 Mar 1;7(3):506-511. Epub 2016 Jan 4. doi: 10.1039/C5MD00444F
Sase A, Aher YD, Saroja SR, Ganesan MK, Sase S, Holy M et al. A heterocyclic compound CE-103 inhibits dopamine reuptake and modulates dopamine transporter and dopamine D1-D3 containing receptor complexes. Neuropharmacology. 2016 Mar;102:186-196. doi: 10.1016/j.neuropharm.2015.07.039
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
Showing entries 141 - 160 out of 239