Fondazione Pezcoller’s Post

It is time to share our news. First, we want to congratulate 🎊 our group researcher Mantas Žiaunys. He was awarded a grant from Research Council of Lithuania to study formation of heterogeneous droplets during liquid-liquid phase separation. In addition to this achievement, he has recently published two new articles: 1. S100A9 inhibits and redirects prion protein 89-230 fragment amyloid aggregation (https://lnkd.in/dZDA3trq) 2. Liquid–liquid phase separation of alpha-synuclein increases the structural variability of fibrils formed during amyloid aggregation (https://lnkd.in/dXFPGDpv) We are also pleased to share two articles from our successful collaborations with scientists from Latvia, Sweden, and Italy: 1. Pro-inflammatory protein S100A9 targeted by a natural molecule to prevent neurodegeneration onset (https://lnkd.in/d4j9kgNt) 2. Solid-state NMR backbone chemical shift assignments of α-synuclein amyloid fibrils at fast MAS regime (https://lnkd.in/dsTKzk92) #VU #LSC #ResearchNews #LMT #Neurodegeneration

Vittorio Lembo and I have just published an article in the Journal of Medicinal Chemistry diving into the fascinating world of multitarget directed ligands. This area is brimming with untapped potential! In a nutshell: we've seen amazing results, innovative molecules, and clever design and smart synthetic strategies. Yet, even after nearly 30 years, it is like we - as a community - are just scratching the surface of what this paradigm can truly achieve. Our take? We need to be bolder and push the boundaries further. Curious to hear your thoughts! #MedicinalChemistry #MTDL #multitarget #JMedChem https://lnkd.in/d6bWhdmK P.S. On the off chance you are reading this, we would like to thank the anonymous reviewers. Their suggestions and criticisms significantly improved the quality and scope of our study.

💡Deep Learning + NMR spectroscopy How can we quickly analyse small molecules with complex spin systems? This question is relevant to chemistry, biochemistry, and pharmaceutical domains, e.g. for drug discovery. At the Datalab Symposium 2024, one team provided some answers. They use deep learning models for nuclear magnetic resonance (NMR) spectral analysis, providing a new automated method. Find out more on their poster: https://lnkd.in/epWzcAsW #DataScience #DeepLearning #NewMethod #DataAnalysis #DataScience #DeepLearning #NewMethod #DataAnalysis ZHAW Zürcher Hochschule für Angewandte Wissenschaften, ZHAW School of Engineering, Nicolas Schmid, Giulia Fischetti, Andreas Henrici, Dirk Wilhelm, Björn Heitmann, Simon Bruderer, Bruker BioSpin

Hynek, great job! It's the perfect time to start writing your thesis. I can add that Cyclosporin A is a critical immunosuppressant, and this paper was a joint venture with Marek Kuzma, Dominika Luptáková, Karel Lemr, and Jakub Zapal.  We shared the instrumentation of the Institute of Microbiology, CAS, and Palacký University Olomouc. We reported that cyclic traveling wave ion mobility mass spectrometry (IM-MS) reveals an N → O peptidyl shift in singly protonated cyclosporin to isocyclosporin. No such isomerization was observed for doubly protonated and sodiated molecules. Sodium ion stabilization facilitated the simultaneous separation and quantitation of singly charged cyclosporin isomers with the limit of detection and coefficient of determination of 1.3% and 0.9908 for CycA in isoA and 1.0% and 0.9830 for isoA in CycA, respectively. Finally, 1H−13C gHSQC NMR experiments permitted parallel recording up to 11 cyclosporin conformers. The ratios were determined by integrating the volume of cross-peaks of the upfield resonating hydrogen in the diastereotopic methylene group of sarcosine-3. #massspectrometry #fticr #nmr #IonMobility #IonMobilitySpectrometry

Discovery in nuclear magnetic resonance could pave way for advancements in pharmaceuticals and beyond. ASU researchers involved in scientific breakthrough unveiling method to distinguish 'mirror-image' molecules. Read: https://lnkd.in/e2MZAjzv #sciencesdelavie #biotechnology #biotechnology #innovation #innovations #research #sciences #medicaments #research #drugresearch #laboratories #labs #chemistry #chemistry #biology #biologie #groupeUIG

New preprint from our lab is out 🎉 How a dramatic biochemistry alteration contributes towards the maintainace of the senescent state of human cells! Read more to find out ⬇️

Discovery in nuclear magnetic resonance could pave way for advancements in pharmaceuticals and beyond. ASU researchers involved in scientific breakthrough unveiling method to distinguish 'mirror-image' molecules. Read: https://lnkd.in/ei8ri6uN #sciencesdelavie #biotechnology #biotechnology #innovation #innovations #research #sciences #medicaments #research #drugresearch #laboratories #labs #chemistry #chemistry #biology #biologie #groupeUIG

“This study highlights the role of bidentate binding in the form of five-membered and eight-membered rings, which presents unique research opportunities in SABRE dynamics and chemistry, widening the utilization of SABRE to substrates with similar moieties that were previously unamenable to SABRE hyperpolarization.” Read this recent publication by Abdulmojeed Mustapha and colleagues from the group of Thomas Theis at the North Carolina State University, in collaboration with scientist from the Technical University of Munich and the University Medical Center Freiburg, to find out how the authors utilized a Spinsolve Carbon 43 MHz benchtop NMR spectrometer to generate new insights into the behavior of the recently developed Z-OMPD molecule in SABER-SHEATH hyperpolarization experiments. Here is the link to the full paper: https://lnkd.in/gC-XS2By #NMR #benchtopNMR #magritek #spectroscopy       

Labelled Isotope Analysis Article from Boston College Deuteration analysis-Metabolically-incorporated deuterium in myelin localized by neutron diffraction and identified by mass spectrometry. Marek Domin, MSc FRSC CChem CSci | Director, Mass Spectrometry Center Anne Baumann, Andrew Denninger, Daniel A. Kirschner, Bruno Demé #Lipidomics #Membrane #structure #Metabolic #isotope #labeling #PNS #CNS #Mice more articles available: https://lnkd.in/gtft6tgR

Our latest study published in Nucleic Acids Research evaluates six #RNA 3D structure #prediction methods and includes an assessment of #AlphaFold 3. Using a diverse set of RNA #structures, we discovered varying strengths among the methods. Some excel in predicting global RNA folds, while others are better at local interactions. Importantly, our findings reveal that the accuracy of ligand-binding site predictions remains high enough for practical use, even if the overall quality of the RNA models varies. This underscores the potential of these predictions in guiding #therapeutic development, highlighting the need for enhanced accuracy and addressing the challenges in modeling RNA-ligand interactions. This research is detailed further in our paper published in Nucleic Acids Research. We'd like to invite you to read our full study to understand the implications and future directions: https://lnkd.in/dgDFiyB7 Special thanks to Sebastian Kmiecik and Irina Tuszynska for this collaboration :-) #Bioinformatics #computationalbiology Biological and Chemical Research Centre Molecure