C. Laggner

发表

Predicting new molecular targets for known drugs

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

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.

Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening.

Thierry Langer, Christian Laggner, Rémy D Hoffmann, 2005, Journal of medicinal chemistry.

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 .

Quantifying Biogenic Bias in Screening Libraries

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

Structure–Activity Relationships and Molecular Docking of Novel Dihydropyrimidine‐Based Mitotic Eg5 Inhibitors

C. Laggner, F. Kozielski, Doris Dallinger, 2010, ChemMedChem.

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

C. Laggner, T. Langer, D. Schuster, 2005 .

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

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

Chemical Informatics and Target Identification in a Zebrafish Phenotypic Screen

Bryan L. Roth, Brian K. Shoichet, Michael J. Keiser, 2011, Nature chemical biology.

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.

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

Thierry Langer, Daniela Schuster, Gerhard Wolber, 2008, 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.

On the tautomerism of pyrazolones: the geminal 2J[pyrazole C-4,H-3(5)] spin coupling constant as a diagnostic tool

C. Laggner, J. Elguero, I. Alkorta, 2004 .

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.

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

C. Laggner, T. Langer, P. Paoli, 2009, ChemMedChem.

DNA Minor Groove Pharmacophores Describing Sequence Specific Properties

Klaus R. Liedl, Bernd Wellenzohn, Thierry Langer, 2007, J. Chem. Inf. Model..

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

Theodora M. Steindl, C. Laggner, T. Langer, 2005 .

A ring-fission/C–C bond cleavage reaction with an N-alkyl-N-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amine

C. Laggner, W. Holzer, K. Mereiter, 2002 .

Structure-activity relationship of S-trityl-L-cysteine analogues as inhibitors of the human mitotic kinesin Eg5.

C. Laggner, F. Kozielski, D. Skoufias, 2008, Journal of medicinal chemistry.

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

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

Discovery of novel CB2 receptor ligands by a pharmacophore-based virtual screening workflow.

Thierry Langer, Daniela Schuster, Gerhard Wolber, 2009, Journal of medicinal chemistry.

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..

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.

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

C. Laggner, T. Langer, R. Maccari, 2008, Bioorganic & medicinal chemistry.

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

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

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..

Design, synthesis and SAR analysis of novel selective sigma1 ligands (Part 2).

C. Laggner, D. Rossi, S. Collina, 2007, Bioorganic & medicinal chemistry.

Reactions and tautomeric behavior of 1-(2-pyridinyl)-1H-pyrazol-5-ols

C. Laggner, W. Holzer, Barbara Datterl, 2011 .

Design, synthesis, and SAR analysis of novel selective sigma1 ligands.

C. Laggner, T. Langer, S. Collina, 2007, Bioorganic & medicinal chemistry.

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.

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.

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.

Carbamoylation abrogates the antioxidant potential of hydrogen sulfide.

C. Laggner, B. Gmeiner, S. Kapiotis, 2013, Biochimie.

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: A Novel Concept in Pharmacophore Modeling and Virtual Screening

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

Septins disruption controls tumor growth and enhances efficacy of Herceptin

Richard G. Moore, Jason R. Myers, C. Laggner, 2020, bioRxiv.

Pharmacophore Modeling and in Silico Screening for New P450 19 (Aromatase) Inhibitors

Thierry Langer, Daniela Schuster, Rolf W. Hartmann, 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..

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..

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.

AtomNet-Aided OTUD7B Inhibitor Discovery and Validation

Michael J. Emanuele, C. Laggner, Pengda Liu, 2023, Cancers.

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, Johannes Kirchmair, 2006, J. Chem. Inf. Model..

Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models

Thierry Langer, Rémy D. Hoffmann, Daniela Schuster, 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 .

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.

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.

Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening

Simona Distinto, Thierry Langer, Daniela Schuster, 2008, J. Chem. Inf. Model..

Predicting new molecular targets for known drugs

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