Molecular Networking-Driven Discovery of Antibacterial Perinadines, New Tetracyclic Alkaloids from the Marine Sponge-Derived Fungus <i>Aspergillus</i> sp.

Yang, Ligong; Ding, Lijian; Shi, Yan; Wu, Bin; He, Shan

doi:10.1021/acsomega.2c00402

Cited by 11 publications

(2 citation statements)

References 16 publications

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“…LS116, which were perinadines B and C ( 64 and 65 ). Perinadines B and C showed moderate antibacterial activity for B. subtilis with MIC values of 32 and 64 μg/mL [ 71 ].…”

Section: Aspergillus Sp From Various Marine Sources and Thei...mentioning

confidence: 99%

Marine Aspergillus: A Treasure Trove of Antimicrobial Compounds

Song

2023

Marine Drugs

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Secondary metabolites from marine organisms are diverse in structure and function. Marine Aspergillus is an important source of bioactive natural products. We revised the structures and antimicrobial activities of compounds isolated from different marine Aspergillus over the past two years (January 2021–March 2023). Ninety-eight compounds derived from Aspergillus species were described. The chemical diversity and antimicrobial activities of these novel metabolites will provide a large number of promising lead compounds for the development of antimicrobial agents.

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“…LS116, which were perinadines B and C ( 64 and 65 ). Perinadines B and C showed moderate antibacterial activity for B. subtilis with MIC values of 32 and 64 μg/mL [ 71 ].…”

Section: Aspergillus Sp From Various Marine Sources and Thei...mentioning

confidence: 99%

Marine Aspergillus: A Treasure Trove of Antimicrobial Compounds

Song

2023

Marine Drugs

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“…Therefore, Voser et al recommended several strategies for the targeted discovery of unique marine microbial secondary metabolites, including the application of cheminformatics and genome mining tools [6]. For example, Global Natural Products Social Molecular Networking (GNPS), a powerful cheminformatics platform, has been widely used for the discovery of novel molecules from diverse natural sources [7][8][9][10]. GNPS not only expedites the structural elucidation of unknown compounds but also informs other initiatives able to unveil otherwise easily overlooked compounds.…”

Section: Introductionmentioning

confidence: 99%

Global analysis of the biosynthetic chemical space of marine prokaryotes

Wei

Zhou

et al. 2023

Microbiome

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Background Marine prokaryotes are a rich source of novel bioactive secondary metabolites for drug discovery. Recent genome mining studies have revealed their great potential to bio-synthesize novel secondary metabolites. However, the exact biosynthetic chemical space encoded by the marine prokaryotes has yet to be systematically evaluated. Results We first investigated the secondary metabolic potential of marine prokaryotes by analyzing the diversity and novelty of the biosynthetic gene clusters (BGCs) in 7541 prokaryotic genomes from cultivated and single cells, along with 26,363 newly assembled medium-to-high-quality genomes from marine environmental samples. To quantitatively evaluate the unexplored biosynthetic chemical space of marine prokaryotes, the clustering thresholds for constructing the biosynthetic gene cluster and molecular networks were optimized to reach a similar level of the chemical similarity between the gene cluster family (GCF)-encoded metabolites and molecular family (MF) scaffolds using the MIBiG database. The global genome mining analysis demonstrated that the predicted 70,011 BGCs were organized into 24,536 mostly new (99.5%) GCFs, while the reported marine prokaryotic natural products were only classified into 778 MFs at the optimized clustering thresholds. The number of MF scaffolds is only 3.2% of the number of GCF-encoded scaffolds, suggesting that at least 96.8% of the secondary metabolic potential in marine prokaryotes is untapped. The unexplored biosynthetic chemical space of marine prokaryotes was illustrated by the 88 potential novel antimicrobial peptides encoded by ribosomally synthesized and post-translationally modified peptide BGCs. Furthermore, a sea-water-derived Aquimarina strain was selected to illustrate the diverse biosynthetic chemical space through untargeted metabolomics and genomics approaches, which identified the potential biosynthetic pathways of a group of novel polyketides and two known compounds (didemnilactone B and macrolactin A 15-ketone). Conclusions The present bioinformatics and cheminformatics analyses highlight the promising potential to explore the biosynthetic chemical diversity of marine prokaryotes and provide valuable knowledge for the targeted discovery and biosynthesis of novel marine prokaryotic natural products.

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Isolation, Identification, Phytochemical Characterization, and In Vitro Anti‐Inflammatory Property of an Endophytic Trametes Versicolor CL‐1 Isolated from Rosa Roxburghii

Li,

Tao,

Yan

et al. 2024

Chemistry & Biodiversity

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This study explores the anti‐inflammatory potential of an endophytic fungus, Trametes versicolor CL‐1, isolated from the fruit tissues of Rosa roxburghii. Morphological and molecular analyses confirmed the identity of CL‐1. An ethyl acetate extract (CL‐E) from its fermentation broth was subjected to UPLC‐HRMS and GNPS molecular networking. The analysis revealed a diverse array of secondary metabolites, including 11 terpenes, 7 flavonoids, 10 cinnamic acid derivatives, 6 oligopeptides, and 9 fatty acids, as verified by LC‐MS/MS. Notably, CL‐E exhibited significant in vitro anti‐inflammatory activity in RAW264.7 cells. Furthermore, molecular docking studies predicted favorable binding interactions of key compounds 1 within CL‐E with the NLRP3 inflammasome (PDB ID: 6NPY). These findings suggest T. versicolor CL‐1 as a promising source of natural anti‐inflammatory agents and unveil R. roxburghii as a potential reservoir for discovering novel bioactive metabolites.

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Molecular Networking-Driven Discovery of Antibacterial Perinadines, New Tetracyclic Alkaloids from the Marine Sponge-Derived Fungus Aspergillus sp.

Cited by 11 publications

References 16 publications

Marine Aspergillus: A Treasure Trove of Antimicrobial Compounds

Marine Aspergillus: A Treasure Trove of Antimicrobial Compounds

Global analysis of the biosynthetic chemical space of marine prokaryotes

Isolation, Identification, Phytochemical Characterization, and In Vitro Anti‐Inflammatory Property of an Endophytic Trametes Versicolor CL‐1 Isolated from Rosa Roxburghii

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