Marine natural products as potential inhibitors against pathogenic Streptococcus agalactiae using molecular docking study for human and fish disease control

Wee, Ye Zhi and Sairatul Dahlianis Ishak, . and Siti Aisyah Razali, . (2024) Marine natural products as potential inhibitors against pathogenic Streptococcus agalactiae using molecular docking study for human and fish disease control. Journal of Sustainability Science and Management (Malaysia), 19 (11). pp. 15-38. ISSN 2672-7226

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.

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Abstract

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.

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Item Type:	Article
AGROVOC Term:	antibiotics
AGROVOC Term:	aquaculture
AGROVOC Term:	disease control
AGROVOC Term:	bioprospecting
AGROVOC Term:	Streptococcus agalactiae
AGROVOC Term:	gene inhibitors
AGROVOC Term:	bioavailability
AGROVOC Term:	public health
AGROVOC Term:	drug resistance
Geographical Term:	Malaysia
Depositing User:	Mr. Khoirul Asrimi Md Nor
Date Deposited:	14 Jul 2026 08:00
Last Modified:	16 Jul 2026 14:47
URI:	http://webagris.upm.edu.my/id/eprint/4794

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