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dc.contributor.author | Lee, Seoung Rak![]() |
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dc.contributor.author | Dayras, Marie![]() |
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dc.contributor.author | Fricke, Janis![]() |
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dc.contributor.author | Guo, Huijuan![]() |
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dc.contributor.author | Balluff, Sven![]() |
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dc.contributor.author | Schalk, Felix![]() |
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dc.contributor.author | Yu, Jae Sik![]() |
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dc.contributor.author | Jeong, Se Yun![]() |
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dc.contributor.author | Morgenstern, Bernd![]() |
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dc.contributor.author | Slippers, Bernard![]() |
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dc.contributor.author | Beemelmanns, Christine![]() |
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dc.contributor.author | Kim, Ki Hyun![]() |
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dc.date.accessioned | 2024-08-28T07:23:57Z | |
dc.date.available | 2024-08-28T07:23:57Z | |
dc.date.issued | 2024-06 | |
dc.description | DATA AVAILABILITY : Supplementary Information: contains copies of GNPS figures, all NMR spectra, HRMS spectra of clean compounds, comparison of calculated and measured NMR data, DP4+ probability analyses, BLAST results of antimicrobial activity screening, and in silico analysis of the px gene cluster within the genome of Xylaria sp., and crystal data and structure refinement data for compound 9. Supplementary Data 1: contains lists of calculated 1H and 13C chemical shifts for each determined conformer. Supplementary Data 2: Crystallographic Information File (CIF) for structure of compound 9. The X-ray crystallographic coordinates for structure of compound 9 reported in this study have also been deposited at the Cambridge Crystallographic Data Centre (CCDC), under deposition numbers CCDC-2347670. These data can be obtained free of charge from The Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data_request/cif. All data generated or analyzed during this study are included in this published article and its supplementary files. NMR data files and supplementary mass-spectrometry data files have also been deposited at Zenodo under the https://doi.org/10.5281/zenodo.10978114. | en_US |
dc.description.abstract | Fungi constitute the Earth’s second most diverse kingdom, however only a small percentage of these have been thoroughly examined and categorized for their secondary metabolites, which still limits our understanding of the ecological chemical and pharmacological potential of fungi. In this study, we explored members of the co-evolved termite-associated fungal genus Xylaria and identified a family of highly oxygenated polyketide-terpene hybrid natural products using an MS/MS molecular networking-based dereplication approach. Overall, we isolated six no yet reported xylasporin derivatives, of which xylasporin A (1) features a rare cyclic-carbonate moiety. Extensive comparative spectrometric (HRMS2) and spectroscopic (1D and 2D NMR) studies allowed to determine the relative configuration across the xylasporin family, which was supported by chemical shift calculations of more than 50 stereoisomers and DP4+ probability analyses. The absolute configuration of xylasporin A (1) was also proposed based on TDDFT-ECD calculations. Additionally, we were able to revise the relative and absolute configurations of co-secreted xylacremolide B produced by single x-ray crystallography. Comparative genomic and transcriptomic analysis allowed us to deduce the putative biosynthetic assembly line of xylasporins in the producer strain X802, and could guide future engineering efforts of the biosynthetic pathway. | en_US |
dc.description.department | Biochemistry | en_US |
dc.description.department | Forestry and Agricultural Biotechnology Institute (FABI) | en_US |
dc.description.department | Genetics | en_US |
dc.description.department | Microbiology and Plant Pathology | en_US |
dc.description.librarian | hj2024 | en_US |
dc.description.sdg | SDG-15:Life on land | en_US |
dc.description.sponsorship | Open Access funding enabled and organized by Projekt DEAL. | en_US |
dc.description.uri | https://www.nature.com/commschem/ | en_US |
dc.identifier.citation | Lee, S.R., Dayras, M., Fricke, J. et al. Molecular networking and computational NMR analyses uncover six polyketide-terpene hybrids from termite-associated Xylaria isolates. Communications Chemistry 7, 129 (2024). https://doi.org/10.1038/s42004-024-01210-6. | en_US |
dc.identifier.issn | 2399-3669 (online) | |
dc.identifier.other | 10.1038/s42004-024-01210-6 | |
dc.identifier.uri | http://hdl.handle.net/2263/97901 | |
dc.language.iso | en | en_US |
dc.publisher | Nature Research | en_US |
dc.rights | © The Author(s) 2024. Open Access. This article is licensed under a Creative Commons Attribution 4.0 International License. | en_US |
dc.subject | Multienzyme complexes | en_US |
dc.subject | Natural product synthesis | en_US |
dc.subject | Natural products | en_US |
dc.subject | Molecular networking | en_US |
dc.subject | Computational NMR | en_US |
dc.subject | Polyketide-terpene hybrids | en_US |
dc.subject | Xylaria isolates | en_US |
dc.subject | Fungi | en_US |
dc.subject | Termite-associated fungal genus | en_US |
dc.subject | SDG-15: Life on land | en_US |
dc.title | Molecular networking and computational NMR analyses uncover six polyketide-terpene hybrids from termite-associated Xylaria isolates | en_US |
dc.type | Article | en_US |