Absalom Luturmas, Maftuch, Aulanni'am
GALLEY PROOF The rise of antibiotic-resistant Vibrio species causes a serious risk to aquaculture and public health, which requires the development of new antibacterial agents with novel mechanisms. Marine gastropods are considered a prospective source of bioactive chemicals, especially via mucus production that protects against microbial invasion. This work used an in silico approach to assess the antibacterial potential of bioactive compounds contained in the positive (POS) and negative (NEG) ionization modes of Strombus luhuanus mucus against Vibrio alginolyticus. LCHRMS analysis was used to identify the bioactive compound from S. luhuanus mucus under positive (POS) and negative (NEG) ionization modes. Antibacterial activity and toxicity profile were predicted using PASS Online and ProTox-III web server, respectively. Molecular docking was done to determine the potential antibacterial activity of bioactive compounds detected in S. luhuanus mucus through its interaction with fatty acid-responsive transcriptional regulator (FadR). PASS online analysis revealed that several compounds from the POS and NEG ionization modes had moderate antibacterial activity, while ciprofloxacin had high antibacterial activity. Molecular docking demonstrated strong binding affinities of selected compounds from POS ionization modes to FadR, such as erucamide (–8.5 kcal/mol⁻¹), oleamide (–8.2 kcal/mol⁻¹), and 4-dodecylbenzenesulfonic acid (–8.8 kcal/mol⁻¹), exceeding that of ciprofloxacin (–8.0 kcal/mol⁻¹). While dodecylbenzenesulfonic acid from the NEG ionization modes exhibited the strongest binding affinity (−8.8 kcal/mol). These compounds formed stable interactions with key FadR residues. Bioactive compounds from S. luhuanus mucus may act as natural FadR inhibitors, potentially disrupting lipid homeostasis and virulence regulation in V. alginolyticus. © 2026 Luturmas et al and 2026 the authors.
Doctoral Program, Faculty of Fisheries and Marine Sciences, Universitas Brawijaya, East Java, Malang, 65145, Indonesia; Aquaculture Study Program, Faculty of Fisheries and Marine Sciences, Universitas Pattimura, Maluku, Ambon, 97233, Indonesia; Aquaculture Study Program, Faculty of Fisheries and Marine Sciences, Universitas Brawijaya, East Java, Malang, 65145, Indonesia; Department of Biochemistry, Faculty of Mathematics and Natural Sciences, Universitas Brawijaya, East Java, Malang, 65145, Indonesia
