Daniela Schuster

发表

Chemoinformatics in Natural Product Research

Teresa Kaserer, Daniela Schuster, Judith M. Rollinger, 2018 .

Pharmacophore-based virtual screening as a prioritization tool to assess mechanism-based cardiotoxic effects of small organic molecules

Daniela Schuster, Judith M. Rollinger, Michael Edtbauer, 2013 .

Pharmacophore Modeling, Virtual Screening, and in Vitro Testing Reveal Haloperidol, Eprazinone, and Fenbutrazate as Neurokinin Receptors Ligands

Daniela Schuster, Nicolas Singewald, Hermann Stuppner, 2014, J. Chem. Inf. Model..

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..

The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling

Thierry Langer, Daniela Schuster, T. Langer, 2005, J. Chem. Inf. Model..

Discovery of New Liver X Receptor Agonists by Pharmacophore Modeling and Shape-Based Virtual Screening

Daniela Schuster, Veronika Temml, Constance V. Voss, 2014, J. Chem. Inf. Model..

In Silico‐Guided Strategies for the Discovery and Rationalization of Bioactive Natural Products

Daniela Schuster, Hermann Stuppner, Petra H. Pfisterer, 2014 .

Identification of Novel Liver X Receptor Activators by Structure-Based Modeling

Klaus R. Liedl, Daniela Schuster, Gerhard Wolber, 2012, J. Chem. Inf. Model..

COMP389-Successful application of a combined 3D pharmacophore, 3D shape, and electrostatic similarity virtual screening workflow to discover novel PPAR agonists

Simona Distinto, Daniela Schuster, Gerhard Wolber, 2008 .

Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands

Stefano Alcaro, Teresa Kaserer, Daniela Schuster, 2016, J. Chem. Inf. Model..

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2009, J. Chem. Inf. Model..

Identification of bioactive natural products by pharmacophore-based virtual screening.

Daniela Schuster, Gerhard Wolber, D. Schuster, 2010, Current pharmaceutical design.

Stärkung der Belange lärmbetroffener Anwohner bei Flughafenneu- oder -ausbau durch die Gerichte

Daniela Schuster, 2005 .

COMP 266-The performance of 3-D shape-based virtual screening is not necessarily related to the quality of the query conformation

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2008 .

Optimized shape-focused virtual screening for enhanced enrichment rates

Simona Distinto, Klaus R. Liedl, Daniela Schuster, 2009 .

3D pharmacophores as tools for activity profiling.

Daniela Schuster, D. Schuster, 2010, Drug discovery today. Technologies.

Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models

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

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

Thierry Langer, Daniela Schuster, Rolf W. Hartmann, 2006, J. Chem. Inf. Model..

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

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

Pharmacophore modeling and parallel screening for PPAR ligands

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

Finding New Molecular Targets of Familiar Natural Products Using In Silico Target Prediction

Daniela Schuster, Hermann Stuppner, Oliver Werz, 2020, International journal of molecular sciences.

Experimentally Validated hERG Pharmacophore Models as Cardiotoxicity Prediction Tools

Daniela Schuster, Michael Edtbauer, Jadel M. Kratz, 2014, J. Chem. Inf. Model..

Open-Access Activity Prediction Tools for Natural Products. Case Study: hERG Blockers.

Daniela Schuster, Hermann Stuppner, Fabian Mayr, 2019, Progress in the chemistry of organic natural products.

Molecular Docking for Natural Product Investigations: Pitfalls and Ways to Overcome Them

Daniela Schuster, Veronika Temml, D. Schuster, 2021 .

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.

Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling.

Daniela Schuster, D. Schuster, A. Vuorinen, 2015, Methods.

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

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

μ Opioid receptor: novel antagonists and structural modeling

Teresa Kaserer, Daniela Schuster, Helmut Schmidhammer, 2016, Scientific Reports.

Pharmacophore-based discovery of FXR-agonists. Part II: Identification of bioactive triterpenes from Ganoderma lucidum

Daniela Schuster, Gerhard Wolber, Hermann Stuppner, 2011, Bioorganic & medicinal chemistry.

Pharmacophore-based discovery of a novel cytosolic phospholipase A2α inhibitor

Daniela Schuster, Gerhard Wolber, Hermann Stuppner, 2012, Bioorganic & medicinal chemistry letters.

Prospective performance evaluation of selected common virtual screening tools. Case study: Cyclooxygenase (COX) 1 and 2

Teresa Kaserer, Daniela Schuster, Veronika Temml, 2015, European journal of medicinal chemistry.

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

Thierry Langer, Daniela Schuster, Rolf W. Hartmann, 2006 .

Development of anti-viral agents using molecular modeling and virtual screening techniques.

Daniela Schuster, Gerhard Wolber, Johannes Kirchmair, 2011, Infectious disorders drug targets.

In silico Target Fishing for Rationalized Ligand Discovery Exemplified on Constituents of Ruta graveolens

Thierry Langer, Daniela Schuster, Judith M Rollinger, 2008, Planta medica.

Taspine: bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.

Thierry Langer, Daniela Schuster, Judith M Rollinger, 2006, Journal of natural products.

Tetra- and Pentacyclic Triterpene Acids from the Ancient Anti-inflammatory Remedy Frankincense as Inhibitors of Microsomal Prostaglandin E2 Synthase-1

Daniela Schuster, Oliver Werz, Moritz Verhoff, 2014, Journal of natural products.

The Protein Data Bank (PDB), its related services and software tools as key components for in silico guided drug discovery.

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

Characterization of activity and binding mode of glycyrrhetinic acid derivatives inhibiting 11β-hydroxysteroid dehydrogenase type 2

Daniela Schuster, Gerhard Wolber, Alex Odermatt, 2011, The Journal of Steroid Biochemistry and Molecular Biology.

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.

Comparative enzymology of 11β-hydroxysteroid dehydrogenase type 1 from six species

Zoltan Balazs, Thierry Langer, Daniela Schuster, 2005 .

Virtual Screening as a Strategy for the Identification of Xenobiotics Disrupting Corticosteroid Action

Daniela Schuster, Alex Odermatt, Lyubomir G. Nashev, 2012, PloS one.

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.

Pharmacophore-based discovery of FXR agonists. Part I: Model development and experimental validation

Daniela Schuster, Gerhard Wolber, Hermann Stuppner, 2011, Bioorganic & medicinal chemistry.

Predicting drug metabolism induction in silico.

Thierry Langer, Daniela Schuster, Theodora M. Steindl, 2006, Current topics in medicinal chemistry.

Ligand-Based Pharmacophore Modeling and Virtual Screening for the Discovery of Novel 17β-Hydroxysteroid Dehydrogenase 2 Inhibitors

Daniela Schuster, Alex Odermatt, Ulrich J. Griesser, 2014, Journal of medicinal chemistry.

Discovery of Potent Soluble Epoxide Hydrolase (sEH) Inhibitors by Pharmacophore-Based Virtual Screening

Daniela Schuster, Hermann Stuppner, Oliver Werz, 2016, J. Chem. Inf. Model..

Discovery and resupply of pharmacologically active plant-derived natural products: A review

Daniela Schuster, Hermann Stuppner, Veronika Temml, 2015, Biotechnology advances.

The Identification of Ligand Features Essential for PXR Activation by Pharmacophore Modeling.

Thierry Langer, Daniela Schuster, T. Langer, 2005 .

Pharmacophore Model Refinement for 11β‐Hydroxysteroid Dehydrogenase Inhibitors: Search for Modulators of Intracellular Glucocorticoid Concentrations

Daniela Schuster, Alex Odermatt, Lyubomir G. Nashev, 2014, Molecular informatics.

Virtual screening applications in short-chain dehydrogenase/reductase research

Teresa Kaserer, Daniela Schuster, Alex Odermatt, 2017, The Journal of Steroid Biochemistry and Molecular Biology.

Computer-Aided Discovery, Validation, and Mechanistic Characterization of Novel Neolignan Activators of Peroxisome Proliferator-Activated Receptor γ

Daniela Schuster, Judith M Rollinger, Gerhard Wolber, 2010, Molecular Pharmacology.

In silico methods in the discovery of endocrine disrupting chemicals

Daniela Schuster, Alex Odermatt, A. Odermatt, 2013, The Journal of Steroid Biochemistry and Molecular Biology.

Predicting Cyclooxygenase Inhibition by Three‐Dimensional Pharmacophoric Profiling. Part I: Model Generation, Validation and Applicability in Ethnopharmacology

Daniela Schuster, Judith M Rollinger, Gerhard Wolber, 2010, Molecular informatics.

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.

In Silico Predictions of Drug – Drug Interactions Caused by CYP1A2, 2C9 and 3A4 Inhibition – a Comparative Study of Virtual Screening Performance

Teresa Kaserer, Daniela Schuster, W. Jäger, 2015, Molecular informatics.

Mushroom Tyrosinase-Based Enzyme Inhibition Assays Are Not Suitable for Bioactivity-Guided Fractionation of Extracts.

Daniela Schuster, Hermann Stuppner, Fabian Mayr, 2019, Journal of natural products.

Predicting cyclooxygenase inhibition by three-dimensional pharmacophoric profiling. Part II: Identification of enzyme inhibitors from Prasaplai, a Thai traditional medicine

Daniela Schuster, Gerhard Wolber, Hermann Stuppner, 2011, Phytomedicine : international journal of phytotherapy and phytopharmacology.

Pistacia lentiscus Oleoresin: Virtual Screening and Identification of Masticadienonic and Isomasticadienonic Acids as Inhibitors of 11β-Hydroxysteroid Dehydrogenase 1

Daniela Schuster, Judith M Rollinger, Alex Odermatt, 2015, Planta Medica.