Biological Evaluation and Molecular Docking of Extracts from the Dinoflagellate Amphidinium carterae
摘要
Marine dinoflagellates of the genus Amphidinium produce potent bioactive compounds distinct from terrestrial plants. This study investigated the antibacterial and antifungal properties of Amphidinium carterae extracts against the coral bacterial pathogens: Alcaligenes faecalis, Bordetella trematum, Brevibacterium epidermidis, and Providencia vermicola, as well as the fungal pathogens: Fusarium verticillioides and Magnaporthe oryzae. The bacterial pathogens were identified using 16S rRNA gene sequencing, and their corresponding accession numbers (PP601180, PP601181, PP601240, and PP601238) were submitted to GenBank. To the best of our knowledge, this is the first study to explore the antibacterial and antifungal potential of A. carterae extracts against coral pathogens. These cause diseases and mortality in coral species, such as Porites lutea, highlighting the urgent need for developing effective antimicrobials. UPLC-QTOF MS analysis identified 20 amphidinols (AMs) in A. carterae extracts. Molecular docking established their interactions with the bacterial or fungal enzyme aromatic amine dehydrogenase (2AH1); three amphidinol complexes (AM10, desulfo-AM7 (DSAM7), and AM18) showed superior binding affinities compared to the reference ligand (tryptophan), as indicated by the high docking scores. These findings suggest a robust antibacterial and antifungal potential, which is under validation via in vitro testing. The results confirm that the A. carterae extracts possess significant bioactivity, with AM10, DSAM7, and AM18 being promising candidate drugs against fungal and bacterial pathogens of corals. This study highlights A. carterae as a natural source of antimicrobial agents to combat coral diseases and fungal infections.