Chemometric-Guided Exploration of Marine Anti-Neurofibroma Leads

Neurofibroma is a common hereditary peripheral nervous system tumour for which treatment options are currently limited, necessitating the exploration of potential drugs for its treatment. The development of big data and mass spectroscopic technologies has led to the breakthrough development of new strategies for separation. Hence, we proposed an advanced spectroscopic approach in this study, called multi-information molecular networking (MIMN). It is a visualised tool combined with chemical and biological information that assists lead compound investigation [1].

Our study focused on the chemical analysis and anti-neurofibroma activity assessment of the Taiwanese sponge Lendenfeldia sp. We mainly targeted the inhibitory activities of six chemokines, including CCL3, CCL4, CCL5, CXCL1, CXCL8 and CXCL10. MIMN revealed that the sponge is abundant in scalarane, which has anti-inflammatory potential. The most promising compound with the most significant anti-chemokine effect among the extracts of sponges, 24-methyl-12,24,25-trioxoscalar-16-en-22-oic acid [2] was subsequently isolated and annotated as the lead compound.

The results suggest that MIMN is a valuable tool for exploring potential drugs for neurofibroma. In conclusion, the MIMN strategy can be applied for future new drug discoveries.

 

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• References

• 1 Wang M, Carver JJ, Phelan VV. et al. Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking. Nat biotechnol 2016; 34: 828-837
• 2 Prada CE, Jousma E, Rizvi TA. et al. Neurofibroma-associated macrophages play roles in tumor growth and response to pharmacological inhibition. Acta Neuropathologica 2012; 125: 159-168

Publikationsverlauf

Artikel online veröffentlicht:
16. November 2023