List of works - Christian Laggner

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

scientific article published on 25 January 2009

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

scientific article

Ask the experts: focus on computational chemistry

scientific article published in June 2011

Carbamoylation abrogates the antioxidant potential of hydrogen sulfide

scientific article published on 26 July 2013

Chapter 3. Pharmacophore-based Virtual Screening in Drug Discovery

Chemical informatics and target identification in a zebrafish phenotypic screen.

scientific article published on 18 December 2011

Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.

scientific article published in March 2005

Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.

scientific article published in July 2006

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

scientific article published on 21 December 2009

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

scientific article

Development and Validation of an In Silico P450 Profiler Based on Pharmacophore Models

article

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

scientific article published in July 2005

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

scientific article

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

scientific article published in January 2009

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

scientific article published on 27 September 2008

Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening

scientific article published on 19 July 2008

Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches.

scientific article published on 11 October 2007

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

scientific article

Human rhinovirus 3C protease: generation of pharmacophore models for peptidic and nonpeptidic inhibitors and their application in virtual screening.

scientific article published in May 2005

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

scientific article published on 12 February 2011

In silico molecular comparisons of C. elegans and mammalian pharmacology identify distinct targets that regulate feeding

scientific article (publication date: November 2013)

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.

scientific article

Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models

scientific article published on 01 March 2007

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

article

Pharmacophore modeling and in silico screening for new P450 19 (aromatase) inhibitors

scientific article published in May 2006

Predicting new molecular targets for known drugs

scientific article

Quantifying biogenic bias in screening libraries

scientific article

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

scientific article

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

scientific article

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

scientific article published on 12 February 2008

Structure-activity relationships and molecular docking of novel dihydropyrimidine-based mitotic Eg5 inhibitors.

scientific article published in October 2010

Structure-based optimization of benzoic acids as inhibitors of protein tyrosine phosphatase 1B and low molecular weight protein tyrosine phosphatase.

scientific article published in June 2009

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).

scientific article

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

scientific article published on 5 March 2009

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

scientific article published on 3 May 2008

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

scientific article

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

scientific article published on June 2006

List of works by Christian Laggner

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

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

Ask the experts: focus on computational chemistry

Carbamoylation abrogates the antioxidant potential of hydrogen sulfide

Chapter 3. Pharmacophore-based Virtual Screening in Drug Discovery

Chemical informatics and target identification in a zebrafish phenotypic screen.

Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.

Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.

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

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

Development and Validation of an In Silico P450 Profiler Based on Pharmacophore Models

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

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

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

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

Discovery of novel cathepsin S inhibitors by pharmacophore-based virtual high-throughput screening

Fast and efficient in silico 3D screening: toward maximum computational efficiency of pharmacophore-based and shape-based approaches.

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

Human rhinovirus 3C protease: generation of pharmacophore models for peptidic and nonpeptidic inhibitors and their application in virtual screening.

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

In silico molecular comparisons of C. elegans and mammalian pharmacology identify distinct targets that regulate feeding

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.

Parallel Screening and Activity Profiling with HIV Protease Inhibitor Pharmacophore Models

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

Pharmacophore modeling and in silico screening for new P450 19 (aromatase) inhibitors

Predicting new molecular targets for known drugs

Quantifying biogenic bias in screening libraries

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

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

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

Structure-activity relationships and molecular docking of novel dihydropyrimidine-based mitotic Eg5 inhibitors.

Structure-based optimization of benzoic acids as inhibitors of protein tyrosine phosphatase 1B and low molecular weight protein tyrosine phosphatase.

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).

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

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

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

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