University of Uppsala Doctoral Candidate, Luca Hagemeyer has published a paper supported by his co-authors and supervisors Billy Darling, Nele-Johanna Hempel-Højgaard, and MC4DD PIs Jan Kihlberg, and Mate Erdelyi!
Solution Ensembles of Griselimycin Expand the Definition of Molecular Chameleonicity Published as part of Journal of Medicinal Chemistry special issue “Macrocycles as Therapeutic Modalities for Challenging Drug Targets”. Luca J. Hagemeyer, William T. P. Darling, Nele-Johanna Hempel-Højgaard, Jan Kihlberg, and Mate Erdelyi
https://doi.org/10.1021/acs.jmedchem.6c01558
Solution Ensembles of Griselimycin Expand the Definition of Molecular Chameleonicity Published as part of Journal of Medicinal Chemistry special issue “Macrocycles as Therapeutic Modalities for Challenging Drug Targets”. Luca J. Hagemeyer, William T. P. Darling, Nele-Johanna Hempel-Højgaard, Jan Kihlberg, and Mate Erdelyi
https://doi.org/10.1021/acs.jmedchem.6c01558
Image reproduced from Hagemeyer et al., J. Med. Chem. 2026, licensed under CC BY 4.0.
SangsterLogP data curation workflow, combining datasets of increasing coverage and confidence with outlier and duplicate removal.
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An MC4DD Publication in Nature Communications! This time from University of Turin and Doctoral Candidate Thalita Cirino, supported by her supervisor Prof. Giulia Caron and the University of Turin team: SangsterLogP - the largest publicly available dataset of logP values. Cirino, T., Caron, G., Ermondi, G., Charochkina, L., & Tetko, I. Nature (2026). Scientific Data volume 13, Article number: 1039 (2026). https://www.nature.com/articles/s41597-026-07357-2 Image reproduced from Cirino et al., Scientific Data 13, 1039 (2026), licensed under CC BY 4.0.
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Conformational domino: A multi-institutional effort by teams from TU Darmstadt, ETH Zurich, ITMP Hamburg, AbbVie Ludwigshafen and MPI Munich revealed how conformational changes are coupled and propagated like in a domino cascade to govern the overall behaviour of macrocycles – now out in J Med Chem. Huge thxs to all team members and backing from the MC4DD and ProxiDRUGS consortia.
https://doi.org/10.1021/acs.jmedchem.5c00958
https://doi.org/10.1021/acs.jmedchem.5c00958
Image reproduced from Tyagi et al., J. Med. Chem. 2026, licensed under CC BY 4.0.
What Is in a Structure? Cell Permeability and Solubility of Series of Macrocycles and Linear Matched Pairs. Mohit Tyagi, Vasanthanathan Poongavanam, Stefanie Zich, Marika Lindhagen, Ioannis Asproudis, Okky Dwichandra Putra, Jie Yang, Zackary J. R. Ashworth, Anna Guadagni, Luca J. Hagemeyer, Alessandro Oliva, Peter Sjö, Stefan Schiesser, and Jan Kihlberg. https://doi.org/10.1021/acs.jmedchem.5c00958 |
Another MC4DD publication in the Journal of Medicinal Chemistry! MC4DD Doctoral Candidates Anna Guadagni (DC11) and Luca J. Hagemeyer (DC7) are co-authors of a study investigating how molecular structure influences the cell permeability and solubility of macrocycles and their linear counterparts. Published as part of the Journal of Medicinal Chemistry special issue “Macrocycles as Therapeutic Modalities for Challenging Drug Targets”. |
