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GNPS - Combining HPLC Activity Profiling with Advanced UPLC-HRMS/MS Annotation to Accelerate the Discovery of Bioactive Natural Products

ABSTRACT: Dataset containing multiple Hyptis and Artemisia spp. used for the discovery of natural products inhibiting aberrant signaling, namely MAPK/ERK and PI3K/AKT, in melanoma

INSTRUMENT(S): ACQUITY UPLC I-Class, Q Exactive

ORGANISM(S): Condea Verticillata (ncbitaxon:986250) Artemisia Scoparia (ncbitaxon:72351) Artemisia Vulgaris (ncbitaxon:4220) Hyptis Capitata (ncbitaxon:204124) Artemisia Argyi (ncbitaxon:259893) Artemisia Absinthium (ncbitaxon:72332) Hyptis Brachiata (ncbitaxon:1125939) Hyptis Brevipes (ncbitaxon:204123)

SUBMITTER: Jean-Luc Wolfender

PROVIDER: MSV000088606 | GNPS | Wed Dec 22 23:48:00 GMT 2021

REPOSITORIES: GNPS

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Publications

Combining Activity Profiling with Advanced Annotation to Accelerate the Discovery of Natural Products Targeting Oncogenic Signaling in Melanoma.

Hell Tanja T Rutz Adriano A Dürr Lara L Dobrzyński Maciej M Reinhardt Jakob K JK Lehner Timo T Keller Morris M John Anika A Gupta Mahabir M Pertz Olivier O Hamburger Matthias M Wolfender Jean-Luc JL Garo Eliane E

Journal of natural products 20220531 6

The discovery of bioactive natural products remains a time-consuming and challenging task. The ability to link high-confidence metabolite annotations in crude extracts with activity would be highly beneficial to the drug discovery process. To address this challenge, HPLC-based activity profiling and advanced UHPLC-HRMS/MS metabolite profiling for annotation were combined to leverage the information obtained from both approaches on a crude extract scaled down to the submilligram level. This strat ...[more]

PMID: 35640148

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