2025
article
OpenAlex
Patricia Brandl, Lukas Lüthy, Felix Pultar, Moritz Hansen et autres
Mutanobactin D is an interkingdom communicator derived from the human oral microbiome. The lipopeptide prevents yeast-to-hyphae morphogenesis in Candida albicans, notably without fungicidal or fungistatic activity. The mode of action and structure–activity relationship of mutanobactin D are unknown and prompt an interdisciplinary …
ch, us
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2025
preprint
OpenAlex
Praticia Brandl, Lukas Lüthy, Felix Pultar, Moritz Hansen et autres
ABSTRACT: Mutanobactin D is an interkingdom communicator derived from the human oral microbiome. The lipopeptide prevents yeast-to-hyphae morphogenesis in Candida albicans, notably without fungicidal or fungistatic activity. The mode of action and structure-activity relationship of mutanobactin D are unknown and prompt an …
ch, us
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Accès ouvert
2023
article
OpenAlex
Xuechen Tang, Janik Kokot, Franz Waibl, Monica L. Fernández‐Quintero et autres
We evaluated a workflow to reliably sample the conformational space of a set of 47 peptidic macrocycles. Starting from SMILES strings, we use accelerated molecular dynamics simulations to overcome high energy barriers, in particular, the cis-trans isomerization of peptide bonds. We find …
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2023
article
OpenAlex
Monica L. Fernández‐Quintero, Nancy D. Pomarici, Anna-Lena M. Fischer, Valentin J. Hoerschinger et autres
Antibodies and other new antibody-like formats have emerged as one of the most rapidly growing classes of biotherapeutic proteins. Understanding the structural features that drive antibody function and, consequently, their molecular recognition is critical for engineering antibodies. Here, we present the structural …
us, at
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2023
article
OpenAlex
Jonas B. Metternich, Paul Katzberger, Anna S. Kamenik, Prince Tiwari et autres
Gas-phase Förster resonance energy transfer (FRET) combines mass spectrometry and fluorescence spectroscopy for the conformational analysis of mass-selected biomolecular ions. In FRET, fluorophore pairs are typically covalently attached to a biomolecule using short linkers, which affect the mobility of the dye and …
ch
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2023
article
OpenAlex
Ri Wu, Jonas B. Metternich, Anna S. Kamenik, Prince Tiwari et autres
Mass spectrometry is a powerful technique for the structural and functional characterization of biomolecules. However, it remains challenging to accurately gauge the gas-phase structure of biomolecular ions and assess to what extent native-like structures are maintained. Here we propose a synergistic approach …
ch, de, hk
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2023
article
OpenAlex
Stephanie M. Linker, Christian Schellhaas, Anna S. Kamenik, Mac M. Veldhuizen et autres
Cyclic peptides extend the druggable target space due to their size, flexibility, and hydrogen-bonding capacity. However, these properties impact also their passive membrane permeability. As the "journey" through membranes cannot be monitored experimentally, little is known about the underlying process, which hinders …
ch
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2023
article
OpenAlex
Patrick K. Quoika, Anna S. Kamenik, Monica L. Fernández‐Quintero, Martin Zacharias et autres
Poly (N-isopropylacrylamide) (PNIPAM) is a famous representative of thermosensitive polymers. Thermosensitive polymers undergo a phase transition with lower critical solution temperature. Commonly, their phase behavior is linked to a conformational collapse above a certain temperature. This thermosensitive conformational transition is called Coil-Globule …
de, at, ch
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Accès ouvert
2023
preprint
OpenAlex
Jonas B. Metternich, Paul Katzberger, Anna S. Kamenik, Prince Tiwari et autres
Gas-phase Förster resonance energy transfer (FRET) combines the advantages of mass spectrometry and fluorescence spectroscopy for the conformational analysis of mass-selected biomolecules. While this implementation of FRET in the gas phase promises detailed insights for fundamental and applied studies, the gas-phase environment …
ch
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Accès ouvert
2022
article
OpenAlex
Jana Unterhauser, Linda Ahammer, Tobias Rainer, Reiner Eidelpes et autres
Naturally occurring polyphenols can modify the molecular properties of food allergens. For the major apple allergen Mal d 1 it has been postulated that chemical reactions with polyphenols cause permanent changes in the tertiary structure, causing a loss of conformational IgE epitopes …
at, it
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Accès ouvert
2022
preprint
OpenAlex
Stephanie M. Linker, Christian Schellhaas, Anna S. Kamenik, Hans-Joerg Roth et autres
Cyclic peptides are able to extend the druggable space of pharmaceutical targets, due to their size, conformational behavior, and high proportion of hydrogen bond donors and acceptors. However, for the same reasons, they often suffer from poor membrane permeation and thus low …
ch
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Accès ouvert
2022
article
OpenAlex
Florian Hofer, Anna-Lena M. Fischer, Anna S. Kamenik, Franz Waibl et autres
The family of profilin allergens is a common class of proteins found in plants, viruses and various eukaryotes including mammals. Profilins are characterized by an evolutionary conserved structural fold, which is responsible for their cross-reactive nature of Immunoglobulin E (IgE) antibodies. Despite …
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