Daniela Schuster

Paracelsus Medical University — Austria

Computer Science · Physical Sciences

50h-index14.6kcitations270works1.62yr avg
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Research Topics

Computational Drug Discovery Methods(71), Pharmacogenetics and Drug Metabolism(43), Hormonal Regulation and Hypertension(34), Estrogen and related hormone effects(31), Inflammatory mediators and NSAID effects(25)

Publications270 total

Drug Discovery Strategies for Kallikrein-Related Peptidases
International Journal of Molecular Sciences·2025Open Access
Tributyltin propionate and tributyltin salicylate represent novel RXR ligands: Effects on transcriptional activity of thyroid hormone receptor and vitamin D3 receptor
Toxicology in Vitro·2025
Pharmacophore Modeling of Janus Kinase Inhibitors: Tools for Drug Discovery and Exposition Prediction
Molecules·2025Open Access
Pharmacophore Modeling of Janus Kinase Inhibitors: Tools for Drug Discovery and Exposition Prediction
Preprints.org·2025Open Access
Microtubule inhibition as a proposed mechanism for the anthelmintic effect of phytochemicals isolated from Cicerbita alpina
Scientific Reports·2025· 1 citedOpen Access
Potential antiandrogenic effects of parabens and benzophenone-type UV-filters by inhibition of 3α-hydroxysteroid dehydrogenases
Toxicology·2024· 7 citedOpen Access
Abstaining Machine Learning -- Philosophical Considerations
arXiv (Cornell University)·2024Open Access
Impact of 2-hydroxypropyl-β-cyclodextrin inclusion complex formation on dopamine receptor-ligand interaction – A case study
Biochemical Pharmacology·2024· 1 citedOpen Access
Triphenyltin isoselenocyanate: a novel nuclear retinoid X receptor ligand with antiproliferative and cytotoxic properties in cell lines derived from human breast cancer
Molecular and Cellular Biochemistry·2024· 5 citedOpen Access
The TiHoCL panel for canine lymphoma: a feasibility study integrating functional genomics and network biology approaches for comparative oncology targeted NGS panel design
Frontiers in Veterinary Science·2023· 1 citedOpen Access
Benzylated dihydrochalcones as a novel therapeutic approach for the treatment of hepatocellular and thyroid carcinoma
Planta Medica·2023
A Systematic Effort Investigating the Synergistic Anti-Cholinergic Effect of Salvia officinalis
Planta Medica·2023
Short Lecture "Computational investigation of 15-lipoxgenase-1 activation mechanism by different natural products"
Planta Medica·2023
Structural and clinical characterization of CYP11B2 inhibition by dexfadrostat phosphate
The Journal of Steroid Biochemistry and Molecular Biology·2023· 7 citedOpen Access
Identification of Novel β-Tubulin Inhibitors Using a Combined <i>In Silico</i>/<i>In Vitro</i> Approach
Journal of Chemical Information and Modeling·2023· 12 citedOpen Access
P16-24: In silico and in vitro workflow to identify pharmaceuticals inhibiting CYP17A1 and CYP11B1
Toxicology Letters·2023
Virtual screening and biological evaluation to identify pharmaceuticals potentially causing hypertension and hypokalemia by inhibiting steroid 11β-hydroxylase
Toxicology and Applied Pharmacology·2023· 3 citedOpen Access
Novel thiazolopyridine derivatives of diflapolin as dual sEH/FLAP inhibitors with improved solubility
Bioorganic Chemistry·2023· 6 citedOpen Access
Dopamine Receptor Ligand Selectivity—An In Silico/In Vitro Insight
Biomedicines·2023· 1 citedOpen Access
Dopamine Receptor Ligand Selectivity - An In Silico / In Vitro Insight
Preprints.org·2023· 3 citedOpen Access
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Frequent Co-authors

Thierry Langer(18), Judith M. Rollinger(15), Hermann Stuppner(15), Gerhard Wolber(15), Alex Odermatt(11), Atanas G. Atanasov(10), Verena M. Dirsch(9), Christian Laggner(9), Patrick Markt(9), Stefan M. Noha(9), Elke H. Heiß(8), Johannes Kirchmair(8), Birgit Waltenberger(7), Veronika Temml(7), Anna Vuorinen(7), Oliver Werz(6), Rudolf Bauer(5), Clemens Malainer(5), Teresa Kaserer(5), Simona Distinto(5)