MARINE NATURAL PRODUCTS AS POTENTIAL INHIBITORS AGAINST PATHOGENIC Streptococcus agalactiae USING MOLECULAR DOCKING STUDY FOR HUMAN AND FISH DISEASE CONTROL

Streptococcus agalactiae is a zoonotic bacterium infecting farmed and wild fish species, which damages the central nervous system and tissues. Doubtless, S. agalactiae infection not only adversely impacts the development of the aquaculture and fishing industry but also endangers the public’s health. It severely compromises human immunity when raw or undercooked infected fish are consumed. To date, S. agalactiae is multidrug resistant to six widely-used antibiotics: Ampicillin, norfloxacin, aminoglycosides, fluoroquinolone, sulfamethoxazole, and tetracycline. Therefore, the study aims to investigate the potentiality of Marine Natural Products (MNPs) as inhibitors targeting S. agalactiae phosphopentomutase receptor, which is involved in the biosynthesis process of bacterial nucleic acid. Molecular docking analysis, which tested eight MNPs from the Comprehensive Marine Natural Product Database (CMNPD), revealed CMNPD30307, CMNPD30309, and CMNPD30310 as promising antibiotics. These MNPs, adhering to Lipinski’s rule with low binding energy, high gastrointestinal absorption, and high bioavailability scores exhibit potential for further in vitro and in vivo analysis. Nevertheless, given the escalating concerns surrounding biodiversity loss and over-exploitation of marine resources, it is crucial to adopt a sustainable approach in the extraction, collection, and utilisation of these MNPs to contribute to the sustainable and ethical conduct of research in the field of bioprospecting.