De Roo, et al. “An nuclear magnetic resonance fingerprint matching approach for the identification and structural re-evaluation of Pseudomonas lipopeptides.” Microbiology Spectrum

https://dx.doi.org/doi:10.1128/spectrum.01261-22.

Knowledge base for the structural (re-)evaluation of Pseudomonas CLiPs

Full structural characterization of Pseudomonas cyclic lipopeptides (CLiPs) requires different labor-intensive analyses for the assessment of sequence, stereochemistry and fatty acid tail. Because of this, literature reports may feature incomplete or erroneous characterization. To this end, we have established a generally applicable methodology for the structure determination of CLiPs, by comparing their NMR fingerprint to that of a reference compound with (un)known stereochemistry. By sharing the reference data, we hope to facilitate the structural assessment and dereplication of newly isolated CLiPs in the future.

To this end, we established a knowledge base where an overview of published NMR fingerprint data of characterized CLiPs are presented, together with literature data on the originally determined structures.

A detail description on the NMR fingerprint matching procedure can be found here

Check back regularly: we will continue to add data tot the knowledge base. If you have NMR data on a CLiP that is not (yet) featured in the knowledge base, and whish to include this a a guest contribution, please contact us

2022-08-25T09:29:55+02:00