Martin Smieško

Affiliations

Computational Pharmacy, Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 61, Basel 4056, Switzerland.

Publications (34)

Species-specific differences in the inhibition of 11β-hydroxysteroid dehydrogenase 2 by itraconazole and posaconazole.

Toxicology and applied pharmacology

Avec: Silvia G Inderbinen , Michael Zogg , Manuel Kley , Martin Smieško , Alex Odermatt

Sesquiterpene Lactones from Artemisia argyi: Absolute Configuration and Immunosuppressant Activity.

Journal of natural products

Avec: Jakob K Reinhardt , Amy M Klemd , Ombeline Danton , Maria De Mieri , Martin Smieško , Roman Huber , Thomas Bürgi , Carsten Gründemann , Matthias Hamburger

Ligand Pathways in Nuclear Receptors.

Journal of chemical information and modeling

Avec: André Fischer , Martin Smieško

Evaluation of Xa inhibitors as potential inhibitors of the SARS-CoV-2 Mpro protease.

PloS one

Avec: Katarzyna Papaj , Patrycja Spychalska , Patryk Kapica , André Fischer , Jakub Nowak , Maria Bzówka , Manuel Sellner , Markus A Lill , Martin Smieško , Artur Góra

Evaluating the food safety and risk assessment evidence-base of polyethylene terephthalate oligomers: Protocol for a systematic evidence map.

Environment international

Avec: Verena N Schreier , Christian Appenzeller-Herzog , Beat J Brüschweiler , Birgit Geueke , Martin F Wilks , Thomas J Simat , Benoit Schilter , Martin Smieško , Jane Muncke , Alex Odermatt , Nicolas Roth

Evaluating the food safety and risk assessment evidence-base of polyethylene terephthalate oligomers: A systematic evidence map.

Environment international

Avec: Verena N Schreier , Emre Çörek , Christian Appenzeller-Herzog , Beat J Brüschweiler , Birgit Geueke , Martin F Wilks , Benoit Schilter , Jane Muncke , Thomas J Simat , Martin Smieško , Nicolas Roth , Alex Odermatt

Compounds from

Journal of natural products

Avec: Jakob K Reinhardt , Amy M Zimmermann-Klemd , Ombeline Danton , Martin Smieško , Carsten Gründemann , Matthias Hamburger

Computational Assessment of Combination Therapy of Androgen Receptor-Targeting Compounds.

Journal of chemical information and modeling

Avec: André Fischer , Florian Häuptli , Markus A Lill , Martin Smieško

Ligand pathways in estrogen-related receptors.

Journal of biomolecular structure & dynamics

Avec: André Fischer , Ferhat Bardakci , Manuel Sellner , Markus A Lill , Martin Smieško

A Dimerosesquiterpene and Sesquiterpene Lactones from

Journal of natural products

Avec: Lara Dürr , Jakob K Reinhardt , Maciej Dobrzyński , Tanja Hell , Martin Smieško , Olivier Pertz , Matthias Hamburger , Eliane Garo

A battery of in silico models application for pesticides exerting reproductive health effects: Assessment of performance and prioritization of mechanistic studies.

Toxicology in vitro : an international journal published in association with BIBRA

Avec: Serhii Kolesnyk , Mykola Prodanchuk , Petro Zhminko , Yana Kolianchuk , Nataliia Bubalo , Alex Odermatt , Martin Smieško

Potential Inhibitors for Novel Coronavirus Protease Identified by Virtual Screening of 606 Million Compounds.

International journal of molecular sciences

Avec: André Fischer , Manuel Sellner , Santhosh Neranjan , Martin Smieško , Markus A Lill

Assessing the Predictive Power of Relative Binding Free Energy Calculations for Test Cases Involving Displacement of Binding Site Water Molecules.

Journal of chemical information and modeling

Avec: Joel Wahl , Martin Smieško

Deciphering Reaction Determinants of Altered-Activity CYP2D6 Variants by Well-Tempered Metadynamics Simulation and QM/MM Calculations.

Journal of chemical information and modeling

Avec: Charleen G Don , Martin Smieško

Conformational Landscape of Cytochrome P450 Reductase Interactions.

International journal of molecular sciences

Avec: Manuel Sellner , Andre Fischer , Charleen G Don , Martin Smieško

The action of physiological and synthetic steroids on the calcium channel CatSper in human sperm.

Frontiers in cell and developmental biology

Avec: Lydia Wehrli , Ioannis Galdadas , Lionel Voirol , Martin Smieško , Yves Cambet , Vincent Jaquet , Stéphane Guerrier , Francesco Luigi Gervasio , Serge Nef , Rita Rahban

Molecular pharmacology

Avec: Anima M Schäfer , Marta A Rysz , Julia Schädeli , Michelle Hübscher , Haleh Khosravi , Michelle Fehr , Isabell Seibert , Olivier Potterat , Martin Smieško , Henriette E Meyer Zu Schwabedissen

Frontiers in pharmacology

Avec: Charleen G Don , Martin Smieško

Allosteric Binding Sites On Nuclear Receptors: Focus On Drug Efficacy and Selectivity.

International journal of molecular sciences

Avec: André Fischer , Martin Smieško

Conformational Changes of Thyroid Receptors in Response to Antagonists.

Journal of chemical information and modeling

Avec: André Fischer , Gabriela Frehner , Markus A Lill , Martin Smieško

Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2.

International journal of molecular sciences

Avec: André Fischer , Manuel Sellner , Karolina Mitusińska , Maria Bzówka , Markus A Lill , Artur Góra , Martin Smieško

Decision Making in Structure-Based Drug Discovery: Visual Inspection of Docking Results.

Journal of medicinal chemistry

Avec: André Fischer , Martin Smieško , Manuel Sellner , Markus A Lill

Insight into mode-of-action and structural determinants of the compstatin family of clinical complement inhibitors.

Nature communications

Avec: Christina Lamers , Xiaoguang Xue , Martin Smieško , Henri van Son , Bea Wagner , Nadja Berger , Georgia Sfyroera , Piet Gros , John D Lambris , Daniel Ricklin

Virtual screening and biological evaluation to identify pharmaceuticals potentially causing hypertension and hypokalemia by inhibiting steroid 11β-hydroxylase.

Toxicology and applied pharmacology

Avec: Marie-Christin Jäger , Jacek Kędzierski , Victoria Gell , Tim Wey , Jakub Kollár , Denise V Winter , Daniela Schuster , Martin Smieško , Alex Odermatt

Analogues of the pan-selectin antagonist rivipansel (GMI-1070).

European journal of medicinal chemistry

Avec: Beatrice Wagner , Martin Smieško , Roman P Jakob , Tobias Mühlethaler , Jonathan Cramer , Tim Maier , Said Rabbani , Oliver Schwardt , Beat Ernst

Spontaneous Ligand Access Events to Membrane-Bound Cytochrome P450 2D6 Sampled at Atomic Resolution.

Scientific reports

Avec: André Fischer , Martin Smieško

Improvement of Aglycone π-Stacking Yields Nanomolar to Sub-nanomolar FimH Antagonists.

ChemMedChem

Avec: Wojciech Schönemann , Jonathan Cramer , Tobias Mühlethaler , Brigitte Fiege , Marleen Silbermann , Said Rabbani , Philipp Dätwyler , Pascal Zihlmann , Roman P Jakob , Christoph P Sager , Martin Smieško , Oliver Schwardt , Timm Maier , Beat Ernst

Investigation of Thiocarbamates as Potential Inhibitors of the SARS-CoV-2 Mpro.

Pharmaceuticals (Basel, Switzerland)

Avec: Katarzyna Papaj , Patrycja Spychalska , Katarzyna Hopko , Patryk Kapica , Andre Fisher , Markus A Lill , Weronika Bagrowska , Jakub Nowak , Katarzyna Szleper , Martin Smieško , Anna Kasprzycka , Artur Góra

A Conserved Allosteric Site on Drug-Metabolizing CYPs: A Systematic Computational Assessment.

International journal of molecular sciences

Avec: André Fischer , Martin Smieško

Activation of retinoic acid-related orphan receptor γ(t) by parabens and benzophenone UV-filters.

Toxicology

Avec: Silvia G Inderbinen , Manuel Kley , Michael Zogg , Manuel Sellner , André Fischer , Jacek Kędzierski , Stéphanie Boudon , Anton M Jetten , Martin Smieško , Alex Odermatt

A Structural-Reporter Group to Determine the Core Conformation of Sialyl Lewis

Molecules (Basel, Switzerland)

Avec: Beatrice Wagner , Florian P C Binder , Xiaohua Jiang , Tobias Mühlethaler , Roland C Preston , Said Rabbani , Martin Smieško , Oliver Schwardt , Beat Ernst

Immunological evaluation of herbal extracts commonly used for treatment of mental diseases during pregnancy.

Scientific reports

Avec: Moritz Winker , Antoine Chauveau , Martin Smieško , Olivier Potterat , Alexander Areesanan , Amy Zimmermann-Klemd , Carsten Gründemann

Assessment of the inhibitory potential of anabolic steroids towards human AKR1D1 by computational methods and in vitro evaluation.

Toxicology letters

Avec: Jacek Kędzierski , Julien A Allard , Alex Odermatt , Martin Smieško

Strengthening an Intramolecular Non-Classical Hydrogen Bond to Get in Shape for Binding.

Angewandte Chemie (International ed. in English)

Avec: Norbert Varga , Martin Smieško , Xiaohua Jiang , Roman P Jakob , Beatrice Wagner , Tobias Mühlethaler , Philipp Dätwyler , Pascal Zihlmann , Said Rabbani , Timm Maier , Oliver Schwardt , Beat Ernst

Réseau de co-auteurs

André Fischer 12 collaborations

Markus A Lill 8 collaborations

Alex Odermatt 7 collaborations

Manuel Sellner 7 collaborations

Tobias Mühlethaler 4 collaborations

Said Rabbani 4 collaborations

Oliver Schwardt 4 collaborations

Beat Ernst 4 collaborations

Jakob K Reinhardt 3 collaborations

Carsten Gründemann 3 collaborations

Matthias Hamburger 3 collaborations

Artur Góra 3 collaborations

Charleen G Don 3 collaborations

Jacek Kędzierski 3 collaborations

Beatrice Wagner 3 collaborations

Roman P Jakob 3 collaborations

Silvia G Inderbinen 2 collaborations

Michael Zogg 2 collaborations

Manuel Kley 2 collaborations

Ombeline Danton 2 collaborations

Katarzyna Papaj 2 collaborations

Patrycja Spychalska 2 collaborations

Patryk Kapica 2 collaborations

Jakub Nowak 2 collaborations

Maria Bzówka 2 collaborations

Verena N Schreier 2 collaborations

Christian Appenzeller-Herzog 2 collaborations

Beat J Brüschweiler 2 collaborations

Birgit Geueke 2 collaborations

Martin F Wilks 2 collaborations

Thomas J Simat 2 collaborations

Benoit Schilter 2 collaborations

Jane Muncke 2 collaborations

Nicolas Roth 2 collaborations

Olivier Potterat 2 collaborations

Jonathan Cramer 2 collaborations

Philipp Dätwyler 2 collaborations

Pascal Zihlmann 2 collaborations

Timm Maier 2 collaborations

Xiaohua Jiang 2 collaborations

Amy M Klemd 1 collaboration

Maria De Mieri 1 collaboration

Roman Huber 1 collaboration

Thomas Bürgi 1 collaboration

Emre Çörek 1 collaboration

Amy M Zimmermann-Klemd 1 collaboration

Florian Häuptli 1 collaboration

Ferhat Bardakci 1 collaboration

Lara Dürr 1 collaboration

Maciej Dobrzyński 1 collaboration

Tanja Hell 1 collaboration

Olivier Pertz 1 collaboration

Eliane Garo 1 collaboration

Serhii Kolesnyk 1 collaboration

Mykola Prodanchuk 1 collaboration

Petro Zhminko 1 collaboration

Yana Kolianchuk 1 collaboration

Nataliia Bubalo 1 collaboration

Santhosh Neranjan 1 collaboration

Joel Wahl 1 collaboration

Andre Fischer 1 collaboration

Lydia Wehrli 1 collaboration

Ioannis Galdadas 1 collaboration

Lionel Voirol 1 collaboration

Yves Cambet 1 collaboration

Vincent Jaquet 1 collaboration

Stéphane Guerrier 1 collaboration

Francesco Luigi Gervasio 1 collaboration

Serge Nef 1 collaboration

Rita Rahban 1 collaboration

Anima M Schäfer 1 collaboration

Marta A Rysz 1 collaboration

Julia Schädeli 1 collaboration

Michelle Hübscher 1 collaboration

Haleh Khosravi 1 collaboration

Michelle Fehr 1 collaboration

Isabell Seibert 1 collaboration

Henriette E Meyer Zu Schwabedissen 1 collaboration

Gabriela Frehner 1 collaboration

Karolina Mitusińska 1 collaboration

Christina Lamers 1 collaboration

Xiaoguang Xue 1 collaboration

Henri van Son 1 collaboration

Bea Wagner 1 collaboration

Nadja Berger 1 collaboration

Georgia Sfyroera 1 collaboration

Piet Gros 1 collaboration

John D Lambris 1 collaboration

Daniel Ricklin 1 collaboration

Marie-Christin Jäger 1 collaboration

Victoria Gell 1 collaboration

Tim Wey 1 collaboration

Jakub Kollár 1 collaboration

Denise V Winter 1 collaboration

Daniela Schuster 1 collaboration

Tim Maier 1 collaboration

Wojciech Schönemann 1 collaboration

Brigitte Fiege 1 collaboration

Marleen Silbermann 1 collaboration

Christoph P Sager 1 collaboration

Katarzyna Hopko 1 collaboration

Andre Fisher 1 collaboration

Weronika Bagrowska 1 collaboration

Katarzyna Szleper 1 collaboration

Anna Kasprzycka 1 collaboration

Stéphanie Boudon 1 collaboration

Anton M Jetten 1 collaboration

Florian P C Binder 1 collaboration

Roland C Preston 1 collaboration

Moritz Winker 1 collaboration

Antoine Chauveau 1 collaboration

Alexander Areesanan 1 collaboration

Amy Zimmermann-Klemd 1 collaboration

Julien A Allard 1 collaboration

Norbert Varga 1 collaboration