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

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

Source: Scientific Reports, Vol 13, Iss 1, Pp 1-16 (2023)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/2045-2322

Access URL: https://doaj.org/article/9ed505e676e844629dda6743efc4881a

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

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

Source: Nature Communications, Vol 13, Iss 1, Pp 1-15 (2022)

Subject Terms: Science

File Description: electronic resource

Relation: https://doaj.org/toc/2041-1723

Access URL: https://doaj.org/article/0c7331cff4f34721b958795607a6055b

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

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

Source: Frontiers in Cell and Developmental Biology, Vol 11 (2023)

Subject Terms: CatSper, steroids, human sperm, high-throughput screening, calcium signaling, pharmacophore modelling, Biology (General), QH301-705.5

File Description: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fcell.2023.1221578/full; https://doaj.org/toc/2296-634X

Access URL: https://doaj.org/article/615465c0b9f74934804518fb5b8517a1

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

Authors: 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

Source: Environment International, Vol 176, Iss , Pp 107978- (2023)

Subject Terms: Oligomer, Polyethylene terephthalate, Systematic evidence map, Health risk assessment, Exposure, Toxicology, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0160412023002519; https://doaj.org/toc/0160-4120

Access URL: https://doaj.org/article/73693be193ec4c62800623585ed38310

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

Authors: 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

Source: Environment International, Vol 167, Iss , Pp 107387- (2022)

Subject Terms: Oligomer, Polyethylene terephthalate, Systematic evidence map, Health risk assessment, Hazard assessment, Toxicology, Environmental sciences, GE1-350

File Description: electronic resource

Relation: http://www.sciencedirect.com/science/article/pii/S0160412022003142; https://doaj.org/toc/0160-4120

Access URL: https://doaj.org/article/cfc5cf1d66e842d398e0cc8842bf4e09

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

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

Source: Molecules, Vol 28, Iss 6, p 2595 (2023)

Subject Terms: E-selectin antagonists, sialyl Lewisx mimetics, structural-reporter group, desolvation enthalpy, conformational entropy, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/28/6/2595; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/09c92691cdac462f95168204e153b667

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

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

Source: PLoS ONE, Vol 17, Iss 1, p e0262482 (2022)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/0b6bbab41a5d464c875736809e31f3d0

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

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

Source: PLoS ONE, Vol 17, Iss 1 (2022)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8752003/?tool=EBI; https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/a5bf9b16c24c4d5a81c32141595dbc98

In Silico Pharmacogenetics CYP2D6 Study Focused on the Pharmacovigilance of Herbal Antidepressants

Authors: Charleen G. Don, Martin Smieško

Source: Frontiers in Pharmacology, Vol 11 (2020)

Subject Terms: CYP2D6 inhibition, natural products, molecular modeling, pharmacogenetics, adverse reactions, antidepressants, Therapeutics. Pharmacology, RM1-950

File Description: electronic resource

Relation: https://www.frontiersin.org/article/10.3389/fphar.2020.00683/full; https://doaj.org/toc/1663-9812

Access URL: https://doaj.org/article/1cf53596edde420584a4be1ad560fbc7

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

Authors: 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

Source: Pharmaceuticals, Vol 14, Iss 11, p 1153 (2021)

Subject Terms: Mpro, thiocarbamates, MST, Medicine, Pharmacy and materia medica, RS1-441

File Description: electronic resource

Relation: https://www.mdpi.com/1424-8247/14/11/1153; https://doaj.org/toc/1424-8247

Access URL: https://doaj.org/article/cfc8ba5fbeaa4b28b89a3a1f556103ea

What contributes to an effective mannose recognition domain?

Authors: Christoph P. Sager, Deniz Eriş, Martin Smieško, Rachel Hevey, Beat Ernst

Source: Beilstein Journal of Organic Chemistry, Vol 13, Iss 1, Pp 2584-2595 (2017)

Subject Terms: carbohydrate–lectin interactions, desolvation penalty, dielectric constant, multivalency, pre-organization, Science, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://doaj.org/toc/1860-5397

Access URL: https://doaj.org/article/604f6c401e1b4d23b39c56c9495314c7

Searching for bioactive conformations of drug-like ligands with current force fields: how good are we?

Authors: Oya Gürsoy, Martin Smieško

Source: Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-13 (2017)

Subject Terms: Force field, Conformer, Conformational search, Solvation, Solvent, Bioactive, Information technology, T58.5-58.64, Chemistry, QD1-999

File Description: electronic resource

Relation: http://link.springer.com/article/10.1186/s13321-017-0216-0; https://doaj.org/toc/1758-2946

Access URL: https://doaj.org/article/c6a27c85b0c24f1da8f1752aa27f7705

Microsecond MD simulations of human CYP2D6 wild-type and five allelic variants reveal mechanistic insights on the function.

Authors: Charleen G Don, Martin Smieško

Source: PLoS ONE, Vol 13, Iss 8, p e0202534 (2018)

Subject Terms: Medicine, Science

File Description: electronic resource

Relation: http://europepmc.org/articles/PMC6104999?pdf=render; https://doaj.org/toc/1932-6203

Access URL: https://doaj.org/article/ec67e034d4b84b7c89d4e1f4be6aeb24

Acid-Induced Rearrangement of Epoxygermacranolides: Synthesis of Furanoheliangolides and Cadinanes from Nobilin

Authors: Maria De Mieri, Martin Smieško, Isidor Ismajili, Marcel Kaiser, Matthias Hamburger

Source: Molecules, Vol 22, Iss 12, p 2252 (2017)

Subject Terms: sesquiterpene lactones, epoxygermacranolides, acid-catalyzed rearrangement, mechanism of reaction, anti-protozoal activity, Organic chemistry, QD241-441

File Description: electronic resource

Relation: https://www.mdpi.com/1420-3049/22/12/2252; https://doaj.org/toc/1420-3049

Access URL: https://doaj.org/article/b7405d3614be459182f9730128fae4df

VirtualToxLab – in silico Prediction of the Endocrine-Disrupting Potential of Drugs and Chemicals

Authors: Angelo Vedani, Morena Spreafico, Ourania Peristera, Max Dobler, Martin Smiesko

Source: CHIMIA, Vol 62, Iss 5 (2008)

Subject Terms: In silico prediction of the endocrine-disrupting potential, Molecular modeling, Multidimensional qsar, Virtualtoxlab, Chemistry, QD1-999

File Description: electronic resource

Relation: https://chimia.ch/chimia/article/view/4489; https://doaj.org/toc/0009-4293; https://doaj.org/toc/2673-2424

Access URL: https://doaj.org/article/a2347ee70144448087d11deef033c913