Experimental And Molecular Docking Approach To Study The Pesticide-Induced Changes In Growth, Metabolic Function And Health Biomarkers Of Freshwater Fish

https://doi.org/10.5281/zenodo.17801238

Abstract

This study assessed the sublethal effects of profenofos, a commonly used organophosphate pesticide in Pakistan, on growth, metabolic function, oxidative stress, hematological biomarkers, and molecular interactions in the freshwater fish Labeo rohita. Fish were exposed for 28 days to three sublethal concentrations of profenofos (1%, 5%, and 10% of the 96-h LC₅₀), followed by a 14-day recovery period. Growth performance declined significantly in medium- and high-dose groups, with reduced specific growth rate and condition factor, alongside increased feed conversion ratio and hepatosomatic index, reflecting impaired nutrient utilization and hepatic stress. Metabolic assays revealed glycogen and protein depletion with elevated ALT and AST, indicating hepatocellular damage. Antioxidant responses showed initial activation of SOD, CAT, and GPx at lower doses, but inhibition under higher stress, while lipid peroxidation and reduced GSH/GSSG ratios confirmed oxidative imbalance. Hematological disruptions included declines in RBC, Hb, and Hct, with increased WBC counts, hypoalbuminemia, and elevated glucose and triglycerides, suggesting systemic physiological stress. To complement experimental findings, molecular docking analysis using modeled fish enzymes (ALT, AST, SDH, LDH-A, SOD1, CAT) demonstrated strong binding of profenofos to catalytic residues, with docking scores ranging from –5.5 to –7.9 kcal/mol. These interactions supported observed enzyme inhibition and oxidative stress. Overall, profenofos exposure suppressed growth, disrupted metabolism, induced oxidative stress, and impaired hematological health in L. rohita, highlighting the value of integrating biomarker assays with molecular docking for ecotoxicological monitoring of pesticide pollution in freshwater ecosystems.