Dem IPB wird erneut ein beispielhaftes Handeln im Sinne einer chancengleichheitsorientierten Personal- und Organisationspolitik bescheinigt. Das Institut erhält zum 6. Mal in Folge das TOTAL E-QUALITY…
Die Plant Science Student Conference (PSSC) wird seit 20 Jahren im jährlichen Wechsel von Studierenden der beiden Leibniz-Institute IPK und IPB organisiert. Im Interview erläutern Christina Wäsch…
Illig, A.-M.; Siedhoff, N. E.; Davari, M. D.; Schwaneberg, U.;Evolutionary probability and stacked regressions enable data-driven protein engineering with minimized experimental effortJ. Chem. Inf. Model.646350-6360(2024)DOI: 10.1021/acs.jcim.4c00704
Protein engineering through directed evolution and (semi)rational approaches is routinely applied to optimize protein properties for a broad range of applications in industry and academia. The multitude of possible variants, combined with limited screening throughput, hampers efficient protein engineering. Data-driven strategies have emerged as a powerful tool to model the protein fitness landscape that can be explored in silico, significantly accelerating protein engineering campaigns. However, such methods require a certain amount of data, which often cannot be provided, to generate a reliable model of the fitness landscape. Here, we introduce MERGE, a method that combines direct coupling analysis (DCA) and machine learning (ML). MERGE enables data-driven protein engineering when only limited data are available for training, typically ranging from 50 to 500 labeled sequences. Our method demonstrates remarkable performance in predicting a protein’s fitness value and rank based on its sequence across diverse proteins and properties. Notably, MERGE outperforms state-of-the-art methods when only small data sets are available for modeling, requiring fewer computational resources, and proving particularly promising for protein engineers who have access to limited amounts of data.
Publikation
Greff, A.; Porzel, A.; Schmidt, J.; Palfner, G.; Arnold, N.;Pigment pattern of the Chilean mushroom Dermocybe nahuelbutensis Garrido & E. HorakRec. Nat. Prod.11547-551(2017)DOI: 10.25135/rnp.69.17.01.027
Fruiting bodies of the Chilean mushroom Dermocybe nahuelbutenis Garrido & E. Horak (syn.: Cortinariusnahuelbutensis (Garrido & E. Horak) E. Valenz. & G. Moreno) were chemically investigated for the first time andafforded the new dimeric anthraqinone 7,7'-emodinphyscion (1) beside the know anthraquinones dermolutein (2),endocrocin (3), skyrin (4) and the dimeric pre-anthraquinone derivative flavomannin C (5). The chemotaxonomicsignificance of the pigments is discussed.
Publikation
Alresly, Z.; Lindequist, U.; Lalk, M.; Porzel, A.; Arnold, N.; Wessjohann, L. A.;Bioactive Triterpenes from the Fungus Piptoporus betulinusRec. Nat. Prod.10103-108(2016)
Phytochemical investigation of the ethyl acetate extract of the fruiting bodies from the basidiomycete Piptoporus betulinus led to the isolation of a new bioactive lanostane triterpene identified as 3 b -acetoxy-16-hydroxy-24-oxo-5α-lanosta-8- ene-21-oic acid (1). In addition, ten known triterpenes, polyporenic acid A (5), polyporenic acid C (4), three derivatives of polyporenic acid A (8, 10, 11), betulinic acid (3), betulin (2), ergosterol peroxide (6), 9,11-dehydroergosterol peroxide (7), and fomefficinic acid (9), were also isolated from the fungus. All isolated compounds were tested for antimicrobial activity against some Gram-positive and Gram-negative bacteria as well as against a fungal strain. The new triterpene and some of the other compounds showed antimicrobial activity against Gram-positive bacteria.
Publikation
Ali, N. A. A.; Wurster, M.; Arnold, N.; Lindequist, U.; Wessjohann, L.;Essential Oil Composition from Oleogum Resin of Soqotraen Commiphora kuaRec. Nat. Prod.270-75(2008)
The major constituents of the essential oil obtained by hydrodistillation from the oleogum resin of Commiphora kua Vollesen were identified by GC-MS. Sixteen constituents were detected from the essential oil, which constituted about (90.5%) of the total amount. Major constituents of the oil were α- cadinol (33.0%), g -cadinene (22.5%), d -cadinene (17.0%), isocaryophyllene (3.7%), allo-aromadendrene (2.8%), α-muurolene (2.7%), and α-humulene (2.4%). The Oil of Commiphora kua showed moderate antifungal activity against Cladosporium cucumerinum.