The biological screening of 44 marine sponge extracts for the research of bioactive molecules, with potential application in the treatment of age-related diseases (cancer and Alzheimer’s disease) and skin aging, resulted in the selection of Scopalina hapalia extract for chemical study. As no reports of secondary metabolites of S. hapalia were found in the literature, we undertook this research to further extend current knowledge of Scopalina chemistry. The investigation of this species led to the discovery of four new compounds: two butenolides sinularone J (1) and sinularone K (2), one phospholipid 1-O-octadecyl-2-pentanoyl-sn-glycero-3-phosphocholine (3) and one lysophospholipid 1-O-(3-methoxy-tetradecanoyl)-sn-glycero-3-phosphocholine (4) alongside with known lysophospholipids (5 and 6), alkylglycerols (7–10), epidioxysterols (11 and 12) and diketopiperazines (13 and 14). The structure elucidation of the new metabolites (1–4) was determined by detailed spectroscopic analysis, including 1D and 2D NMR as well as mass spectrometry. Molecular networking was also explored to complement classical investigation and unravel the chemical classes within this species. GNPS analysis provided further information on potential metabolites with additional bioactive natural compounds predicted.

This study compares the antioxidant properties and phytochemical profiles of three pairs of widely used medicinal plant species to their counterparts from Provence, France: Arnica montana with Pentanema montanum (formerly known as Inula montana), Helichrysum italicum with Helichrysum stoechas, and Satureja hortensis with Satureja montana. Phytochemical composition has been investigated using UHPLC-HRMS/MS and molecular networking, revealing chemical profiles dominated by phenylpropanoids and flavonoids, with lignans, sesquiterpene lactones, or polyketides aside. Well-plate DPPH/ABTS assays were used to evaluate the antioxidant activity of extracts, and post-column assays were used to identify antioxidant compounds. The three Provence species demonstrated comparable or superior antioxidant activities to their counterparts, primarily attributed to phenolic compounds such as mono- and di-caffeoylquinic acids, quercetagetin-7-O-glucoside, and myricetin acetylhexoside. These findings show the potential of Provence species to be substituted for some overharvested medicinal plants. This research supports biodiversity conservation while promoting the integration of these local species into pharmaceutical, nutraceutical, cosmetic, and food industries.

Tuberculosis (TB) is still a significant public health threat, with rising drug resistance and high incidence in multiple areas worldwide. In the search for novel antitubercular agents, this study explores the application of a bioactivity-guided molecular networking approach to identify bioactive compounds from seven plant species (Curatella americana, Davilla nitida, Dipteryx punctata, Indigofera suffruticosa, Quassia amara, Tetradenia riparia, and Zingiber zerumbet) collected in French Guiana. Using ultrasound-assisted extraction followed by liquid–liquid partitioning and UHPLC-HRMS/MS analysis, a library of 72 samples was tested against Mycobacterium tuberculosis. The non-polar fractions from Indigofera suffruticosa, Tetradenia riparia, and Zingiber zerumbet showed the highest activity. The integration of metabolomic and bioassay data on molecular networks allowed the prioritization and annotation of active compounds, revealing flavonoids as contributors to the antitubercular activity of the active samples. In addition, the use of computational tools such as GNPS, SIRIUS, and TIMA-R enabled dereplication and increased the confidence in the structural prediction of active metabolites. This approach demonstrated its potential in accelerating the identification of both known and novel bioactive compounds without requiring exhaustive isolation, offering a robust strategy for natural product-based drug development against TB.