The Hun-Ren-ELTE Molecular Modelling Research Group and the Structural Chemistry and Biology Laboratory are located at the Institute of Chemistry, Faculty of Natural Sciences, Eötvös Loránd University. We collaborate with many national and international structural research groups in various fields of organic- and peptide-chemistry, molecular biology and biochemistry to better understand the wonderful but hidden world of the microcosm. We operate and develop a synthetic platform including a system for the synthesis of polypeptides and protein domains based on flow chemistry, and a fermentor reactor for the production of partially unlabelled and partially 15N-and 13C-isotopically labelled proteins.
Our topics include spatially oriented projects such as foldamer research, understanding self-assembled and reversible amyloid formation, total synthesis of non-natural amino acids and sugar amino acids and chemical synthesis of polypeptides and protein domains. We also have projects to produce drugs and molecules as potential lead compounds related to diseases. These include a deeper understanding of the molecular basis of Alzheimer's disease, the kRas signalling protein that plays an important role in tumour diseases, the mechanism of antibiotics and a deeper understanding of certain drug-drug interactions. Our protein modelling work has also successfully addressed bioinformatics, molecular modelling, drug design and applied quantum chemistry challenges. Over the last decade, we have led several ELTE-centred collaborations and tenders to exploit the potential of important high-resolution structural tools such as NMR spectroscopy, X-ray crystallography and cryo-electron microscopy at the highest level and efficiently, to share our knowledge with others and to collaborate with industrial partners. (MedInProt, HunProtExc, or the Level Plus Programmes of Excellence, iNEXT-Discovery H-2020, etc.) Our open-minded, enthusiastic team welcomes students and is happy to cooperate with all interested researchers.
News
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ACW: Database and toolkit for analyzing the zipper regions of amyloid oligopeptide structures
Amyloidogenic proteins contain short segments (amyloid prone regions) that nucleate formation of large sandwiched β-sheet structures. Analysis of structural properties of interfaces formed between the interacting β-sheets of these oligopeptides is essential for understanding their amyloidogenicity and self-assembly. We developed a tool (ACW plugin for the PyMOL program) for visualization and comparative analysis of amyloid oligopeptide crystal structures and applied it to the database of amyloid oligopeptides derived from the PDB. Our data show that parallel β-sheet structures have higher entanglement and better shape complementarity, probably related to their higher abundance. Our paper was published in the Journal of Chemical Information and Modeling.
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Research grant
Led by András Perczel, the group has been awarded a 2-year research grant from Richter Gedeon Nyrt. to investigate the potential reversibility of clinically relevant amyloid fibres.
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Lecturer Award
Helga Tar-Pálfi was awarded the Eötvös Day Lecturer Award at the 2024 ELTE Faculty of Chemistry Student Conference 2024. Congratulations to Helga!
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Recent Publications
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Fruzsina Pilhál , Imre Jákli , Ernő Keszei , András Láng , András Perczel
Kinetic, thermodynamic, and ab initio insights of AsnGly isomerisation as a ticking time bomb for protein integrity
Commun Chem 7, 303 I DOI: https://doi.org/10.1038/s42004-024-01374-1 (2024) Kivonat -
Szebasztián Szaniszló , Gitta Schlosser , Viktor Farkas , András Perczel
Direct Continuous Flow Synthesis of Two Difficult Polypeptides Using β-Cyclodextrins
J. Org. Chem. DOI: https://doi.org/10.1021/acs.joc.4c01589 (2024) Kivonat -
Zoé S. Tóth , Ibolya Leveles , Kinga Nyíri , Gergely N. Nagy , Veronika Harmat , Thapakorn Jaroentomeechai , Oliver Ozohanics , Rebecca L. Miller , Marina Ballesteros Álvarez , Beáta G. Vértessy , András Benedek
The homodimerization domain of the Stl repressor is crucial for efficient inhibition of mycobacterial dUTPase
Sci Rep 14, 27171 I DOI: https://doi.org/10.1038/s41598-024-76349-2 (2024) Kivonat -
Máté Sulyok-Eiler , Veronika Harmat , András Perczel
Unravelling the Complexity of Amyloid Peptide Core Interfaces
J. Chem. Inf. Model. 64, 22, 8628–8640 I DOI: https://doi.org/10.1021/acs.jcim.4c01479 (2024) Kivonat -
Edit Wéber , Péter Ábrányi-Balogh , Tamas A. Martinek , Bence Nagymihály , Dóra Karancsiné Menyhárd , Nikolett Péczka , Márton Gadanecz , Gitta Schlosser , Zoltán Orgován , Ferenc Bogár , Dávid Bajusz , Gábor Kecskeméti , Zoltán Szabó , Éva Bartus , Attila Tököli , Gábor K. Tóth , Tibor V. Szalai , Tamás Takács , Elvin de Araujo , László Buday , András Perczel , György M. Keserű
Target-templated Construction of Functional Proteomimetics Using Photo-foldamer Libraries
Angew. Chem. Int. Ed. e202410435 I DOI: 10.1002/anie.202410435 (2024) Kivonat - More publications