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<p>This study explores the molecular docking and biological impact of <i>Ocimum tenuiflorum</i> L. compounds on <i>Oreochromis mossambicus</i>, particularly investigating antifertility effects. <i>O. tenuiflorum</i> was assessed for its influence on growth, hematological parameters, metabolic enzyme activity, digestibility, and antioxidant enzymes in <i>O. mossambicus</i>. Molecular docking provided insights into interactions between <i>O. tenuiflorum</i> phytochemicals and fertility-related proteins, suggesting potential antifertility effects. Growth performance significantly improved with <i>O. tenuiflorum</i> supplementation, particularly at 30&#xa0;g/kg (T3). Male fish showed a final body weight increase from 15.10&#xa0;g (T0) to 22.20&#xa0;g (T3) and female fish from 14.10&#xa0;g (T0) to 20.30&#xa0;g (T3). Percentage weight gain (WG%) and specific growth rate (SGR) also increased significantly, with male WG% rising from 340.00% (T0) to 548.00% (T3) and male SGR from 1.30%/day (T0) to 1.70%/day (T3). Hematological parameters at T3 indicated enhanced health markers, with hemoglobin levels at 11.10&#xa0;g/dL and packed cell volume (PCV%) at 37.30%. Metabolic enzyme activities remained stable across supplementation levels. However, digestibility coefficients (ADC%) for protein, fat, and dry matter were highest at T3, with ADCp at 84.48%, ADCf at 75.31%, and ADCd at 81.17%. Antioxidant enzyme activities increased significantly with higher supplementation levels. Catalase (CAT), peroxidase (POD), and superoxide dismutase (SOD) activities peaked at T3, with CAT at 2.90&#xa0;µmol/min/mg, POD at 82.29&#xa0;µmol/min/mg, and SOD at 23.55&#xa0;µmol/min/mg. Lipid peroxidation (LPO/TBARS) activity decreased, indicating reduced oxidative stress. The study suggests possible antifertility effects through molecular docking, bridging traditional herbal medicine with modern environmental sciences for sustainable aquaculture practices. Further research should focus on in vivo validation and comprehensive ecotoxicological assessments.</p>

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Effect of Ocimum tenuiflorum L. compounds on Oreochromis mossambicus: a combination of molecular docking, biochemical dynamics, and antifertility assessment

  • 期刊论文

  • 发表日期：

    2025年10月16日

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  • Sajida Afzal,
  • Siraj Khan,
  • Muhammad Nauman Khan,
  • Zahida Nasreen,
  • Hansa Gul,
  • Mian Inam Zaib,
  • Hameed Alsamadany,
  • Khalid H. Alamer,
  • Ibtisam M. Alsudays,
  • Muhammad Tahir Naseem

摘要

This study explores the molecular docking and biological impact of Ocimum tenuiflorum L. compounds on Oreochromis mossambicus, particularly investigating antifertility effects. O. tenuiflorum was assessed for its influence on growth, hematological parameters, metabolic enzyme activity, digestibility, and antioxidant enzymes in O. mossambicus. Molecular docking provided insights into interactions between O. tenuiflorum phytochemicals and fertility-related proteins, suggesting potential antifertility effects. Growth performance significantly improved with O. tenuiflorum supplementation, particularly at 30 g/kg (T3). Male fish showed a final body weight increase from 15.10 g (T0) to 22.20 g (T3) and female fish from 14.10 g (T0) to 20.30 g (T3). Percentage weight gain (WG%) and specific growth rate (SGR) also increased significantly, with male WG% rising from 340.00% (T0) to 548.00% (T3) and male SGR from 1.30%/day (T0) to 1.70%/day (T3). Hematological parameters at T3 indicated enhanced health markers, with hemoglobin levels at 11.10 g/dL and packed cell volume (PCV%) at 37.30%. Metabolic enzyme activities remained stable across supplementation levels. However, digestibility coefficients (ADC%) for protein, fat, and dry matter were highest at T3, with ADCp at 84.48%, ADCf at 75.31%, and ADCd at 81.17%. Antioxidant enzyme activities increased significantly with higher supplementation levels. Catalase (CAT), peroxidase (POD), and superoxide dismutase (SOD) activities peaked at T3, with CAT at 2.90 µmol/min/mg, POD at 82.29 µmol/min/mg, and SOD at 23.55 µmol/min/mg. Lipid peroxidation (LPO/TBARS) activity decreased, indicating reduced oxidative stress. The study suggests possible antifertility effects through molecular docking, bridging traditional herbal medicine with modern environmental sciences for sustainable aquaculture practices. Further research should focus on in vivo validation and comprehensive ecotoxicological assessments.