drimane and isocitric-acid

Biological species collections are critical for natural product drug discovery programs. However, prioritization of target species in massive collections remains difficult. Here, we introduce an untargeted metabolomics-based prioritization workflow that uses MS/MS molecular networking to estimate scaffold-level distribution. As a demonstration, we applied the workflow to 40 polyporoid fungal species. Nine species were prioritized as candidates based on the chemical structural and compositional similarity (CSCS) metric. Most of the selected species showed relatively higher richness and uniqueness of metabolites than those of the others.

Topics: Fruiting Bodies, Fungal; HCT116 Cells; Humans; Isocitrates; Molecular Structure; Polycyclic Sesquiterpenes; Polyporaceae; Republic of Korea; Tandem Mass Spectrometry

A new drimane-type sesquiterpene with an isocitric acid moiety, cryptoporic acid S (1), together with six known compounds, cryptoporic acid D (2), β-sitosterol (3), β-daucosterol (4), stigmast-4-en-3-one (5), ergosterol (6), and (22E,24R)-ergosta-7,22-diene-3β,5α,6β-triol (7), was isolated from the fruiting bodies of Cryptoporus volvatus. The structures of these compounds were established on the basis of UV, IR, MS, 1D and 2D NMR analysis. In the meanwhile, compounds 1 and 2 were evaluated for antioxidant activity using the methods of 2,2-diphenyl-1-picrylhydrazyl free radical scavenging activity (DPPH-RSA) and ferric reducing antioxidant power (FRAP) assay, and they exhibited moderate antioxidant activities.

Topics: Antioxidants; Biphenyl Compounds; China; Coriolaceae; Ergosterol; Ethers; Fruiting Bodies, Fungal; Isocitrates; Molecular Structure; Picrates; Polycyclic Sesquiterpenes; Sesquiterpenes; Sitosterols; Stigmasterol