Molecular docking approaches of biomolecules extracted from red seaweed Kappaphycus alvarezii against hemolysin protein of bioluminescence disease-causing bacteria Vibrio harveyi

Shrimp culture systems are being affected by bacterial diseases particularly Vibrios. Use of therapeutic agents in shrimp has lead to the resistance among aquatic bacteria. Accordingly, health management becomes major importance aquaculture. Under this situation, developing bio-inhibitors from natural marine resources which most appropriate, is considered as an unmatched reservoir several biological products. Molecular docking suited a approach structural biology and computer-assisted drug design against proteins disease-causative agents. In present study, macroalga Kappaphycus alvarezii was used for inhibitors bioluminescence disease-causing pathogenic bacteria Vibrio harveyi. K. collected Mandapam, Tamil Nadu, India. Ethyl acetate based extract tested growth virulence factors V. harveyi during Penaeus monodon larviculture. Further subjected GC–MS analysis identify biomolecules. The homology modelling virulent protein, hemolysin designed study. Hence, it aimed at molecular biomolecules identified extract. During larviculture, (200 μg mL−1) exhibited reduction on Cumulative Percentage Mortality (29.70 %) postlarvae challenge infection. Among compounds docked, inhibitory effect observed scores were found highest binding affinity/inhibiting activity Cyclotetracosane with least energy required score −7.66 kcal/mol, inhibition constant 0.002 mM intermolecular efficiency −0.32 kcal/mol. Using statistical analysis, significant differences (p < 0.05) between larviculture trials. While considering these findings, determined that can be replaced alternative bio-agents protecting infections caused possibly other farming systems.