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MS/MS-based molecular networking approach for the detection of aplysiatoxin-related compounds in environmental marine cyanobacteria

TitleMS/MS-based molecular networking approach for the detection of aplysiatoxin-related compounds in environmental marine cyanobacteria
Publication TypeJournal Article
Year of Publication2018
AuthorsDing C.YG, Pang L.M, Liang Z.X, Goh K.KK, Glukhov E., Gerwick WH, Tan L.T
JournalMarine Drugs
Date Published2018/12
Type of ArticleArticle
ISBN Number1660-3397
Accession NumberWOS:000454726400046
Keywordsaplog-1; aplysiatoxin; cyanotoxins; debromoaplysiatoxin; filamentous marine cyanobacteria; genetics; molecular networking; natural-products; Okeania sp; Oscillatoria sp; Pharmacology & Pharmacy; simplified analog; Trichodesmium erythraeum

Certain strains of cyanobacteria produce a wide array of cyanotoxins, such as microcystins, lyngbyatoxins and aplysiatoxins, that are associated with public health issues. In this pilot study, an approach combining LC-MS/MS and molecular networking was employed as a rapid analytical method to detect aplysiatoxins present in four environmental marine cyanobacterial samples collected from intertidal areas in Singapore. Based on 16S-ITS rRNA gene sequences, these filamentous cyanobacterial samples collected from Pulau Hantu were determined as Trichodesmium erythraeum, Oscillatoria sp. PAB-2 and Okeania sp. PNG05-4. Organic extracts were prepared and analyzed on LC-HRMS/MS and Global Natural Product Social Molecular Networking (GNPS) for the presence of aplysiatoxin-related molecules. From the molecular networking, six known compounds, debromoaplysiatoxin (1), anhydrodebromoaplysiatoxin (2), 3-methoxydebromoaplysiatoxin (3), aplysiatoxin (4), oscillatoxin A (5) and 31-noroscillatoxin B (6), as well as potential new analogues, were detected in these samples. In addition, differences and similarities in molecular networking clusters related to the aplysiatoxin molecular family were observed in extracts of Trichodesmium erythraeum collected from two different locations and from different cyanobacterial species found at Pulau Hantu, respectively.

Short TitleMar. Drugs
Student Publication: 
Research Topics: