Christian Laggner

发表

Structure-activity relationship and multidrug resistance study of new S-trityl-L-cysteine derivatives as inhibitors of Eg5.

Christian Laggner, Florence Popowycz, C. Laggner, 2011, Journal of medicinal chemistry.

Predicting new molecular targets for known drugs

Michael J. Keiser, J. Irwin, B. Shoichet, 2009, Nature.

Rapid behavior—based identification of neuroactive small molecules in the zebrafish

Christian Laggner, Stephen J. Haggarty, Brian Shoichet, 2009, Nature chemical biology.

Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations

Thierry Langer, Gerhard Wolber, Johannes Kirchmair, 2006, J. Chem. Inf. Model..

Pharmacophore modeling and parallel screening for PPAR ligands

Thierry Langer, Daniela Schuster, Johannes Kirchmair, 2007, J. Comput. Aided Mol. Des..

Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening

René Meier, Thierry Langer, Hans-Dieter Höltje, 2007, J. Comput. Aided Mol. Des..

Why drugs fail--a study on side effects in new chemical entities.

C. Laggner, T. Langer, D. Schuster, 2005, Current pharmaceutical design.

Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches

Thierry Langer, Gerhard Wolber, Johannes Kirchmair, 2007, J. Chem. Inf. Model..

Comparative Analysis of Protein-Bound Ligand Conformations with Respect to Catalyst's Conformational Space Subsampling Algorithms

Thierry Langer, Gerhard Wolber, Johannes Kirchmair, 2005, J. Chem. Inf. Model..

Pharmacophore-based screening for the successful identification of bio-active natural products

C. Laggner, T. Langer, J. Rollinger, 2007 .

Applications of integrated data mining methods to exploring natural product space for acetylcholinesterase inhibitors.

J. Gasteiger, C. Laggner, Dimitar Hristozov, 2010, Combinatorial chemistry & high throughput screening.

Identification of chemically diverse, novel inhibitors of 17β-hydroxysteroid dehydrogenase type 3 and 5 by pharmacophore-based virtual screening

C. Laggner, T. Langer, A. Odermatt, 2011, The Journal of Steroid Biochemistry and Molecular Biology.

Quantifying Biogenic Bias in Screening Libraries

Jérôme Hert, Brian K. Shoichet, Michael J. Keiser, 2009, Nature chemical biology.

Structure‐Based Optimization of Benzoic Acids as Inhibitors of Protein Tyrosine Phosphatase 1B and Low Molecular Weight Protein Tyrosine Phosphatase

T. Langer, P. Paoli, G. Camici, 2009, ChemMedChem.

5-Arylidene-2-phenylimino-4-thiazolidinones as PTP1B and LMW-PTP inhibitors.

C. Laggner, T. Langer, P. Paoli, 2009, Bioorganic & medicinal chemistry.

Small molecule antagonists of PTPmu identified by artificial intelligence-based computational screening block glioma cell migration and growth

C. Laggner, S. Brady-Kalnay, K. Molyneaux, 2023, PloS one.

Artificial Intelligence-Based Computational Screening and Functional Assays Identify Candidate Small Molecule Antagonists of PTPmu-Dependent Adhesion

C. Laggner, S. Brady-Kalnay, K. Molyneaux, 2023, International journal of molecular sciences.

Synthesis, activity and molecular modeling of a new series of chromones as low molecular weight protein tyrosine phosphatase inhibitors.

C. Laggner, T. Langer, P. Paoli, 2009, Bioorganic & medicinal chemistry.

Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.

Thierry Langer, Daniela Schuster, Gerhard Wolber, 2008, Journal of medicinal chemistry.

Comparative Performance Assessment of the Conformational Model Generators Omega and Catalyst: A Large-Scale Survey on the Retrieval of Protein-Bound Ligand Conformations.

Thierry Langer, Gerhard Wolber, Christian Laggner, 2006 .

Development and validation of an in silico P450 profiler based on pharmacophore models.

Thierry Langer, Daniela Schuster, Theodora M. Steindl, 2006, Current drug discovery technologies.

Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening.

K. Kristiansen, T. Langer, E. Flindt, 2008, Journal of medicinal chemistry.

High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening

Thierry Langer, Daniela Schuster, Gerhard Wolber, 2007, J. Comput. Aided Mol. Des..

Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models

Thierry Langer, Rémy D. Hoffmann, Daniela Schuster, 2007, J. Chem. Inf. Model..

Parallel Screening: A Novel Concept in Pharmacophore Modeling and Virtual Screening

Thierry Langer, Daniela Schuster, Theodora M. Steindl, 2006, J. Chem. Inf. Model..

Influence of the Conditions in Pharmacophore Generation, Scoring, and 3D Database Search for Chemical Feature-Based Pharmacophore Models: One Application Study of ETA- and ETB-Selective Antagonists

Thierry Langer, Christian Laggner, Joan R. Cucarull-González, 2006, J. Chem. Inf. Model..

The UV-filter benzophenone-1 inhibits 17beta-hydroxysteroid dehydrogenase type 3: Virtual screening as a strategy to identify potential endocrine disrupting chemicals.

Thierry Langer, Daniela Schuster, Gerhard Wolber, 2010, Biochemical pharmacology.

The discovery of new 11beta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening.

Thierry Langer, Daniela Schuster, Alex Odermatt, 2006, Journal of medicinal chemistry.

Synthesis and biological evaluation of the 1-arylpyrazole class of σ(1) receptor antagonists: identification of 4-{2-[5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy]ethyl}morpholine (S1RA, E-52862).

D. Zamanillo, C. Laggner, J. Holenz, 2012, Journal of medicinal chemistry.

Synthesis, induced-fit docking investigations, and in vitro aldose reductase inhibitory activity of non-carboxylic acid containing 2,4-thiazolidinedione derivatives.

T. Langer, R. Maccari, R. Ottanà, 2008, Bioorganic & medicinal chemistry.

In Silico Molecular Comparisons of C. elegans and Mammalian Pharmacology Identify Distinct Targets That Regulate Feeding

Maria F. Sassano, Bryan L. Roth, Brian K. Shoichet, 2013, PLoS biology.

SPOP and OTUD7A Control EWS–FLI1 Protein Stability to Govern Ewing Sarcoma Growth

Laura E. Herring, C. Laggner, Pengda Liu, 2021, Advanced science.

Discovery of high-affinity ligands of σ1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening

Thierry Langer, Rémy D. Hoffmann, Christian Laggner, 2005 .

Human Rhinovirus 3C Protease: Generation of Pharmacophore Models for Peptidic and Nonpeptidic Inhibitors and Their Application in Virtual Screening

Thierry Langer, Theodora M. Steindl, Christian Laggner, 2005, J. Chem. Inf. Model..