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

IF 2.4 3区农林科学 Q2 FISHERIES

Aquaculture International Pub Date : 2025-10-16 DOI:10.1007/s10499-025-02281-5

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

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引用次数: 0

Abstract

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.

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苦楝化合物对苔藓褐枯菌的影响：分子对接、生化动力学和抗生育评价的结合

本研究探讨了芦竹化合物对苔藓褐枯菌的分子对接和生物学影响，重点研究了其抗生育作用。研究了其对苔藓虫生长、血液学指标、代谢酶活性、消化率和抗氧化酶的影响。分子对接提供了对O. tenuuflorum植物化学物质与生育相关蛋白之间相互作用的见解，提示潜在的抗生育作用。添加30 g/kg （T3）时，生长性能显著提高。雄鱼最终体重从15.10 g （T0）增加到22.20 g (T3)，雌鱼从14.10 g （T0）增加到20.30 g （T3）。增重率（WG%）和特定生长率（SGR）也显著提高，雄鱼WG%从340.00% （T0）提高到548.00% (T3)，雄鱼SGR从1.30%/天（T0）提高到1.70%/天（T3）。T3的血液学参数显示健康指标增强，血红蛋白水平为11.10 g/dL，堆积细胞体积（PCV%）为37.30%。代谢酶活性在不同的补充水平上保持稳定。而蛋白质、脂肪和干物质的消化系数（ADC%）在T3时最高，ADCp为84.48%，ADCf为75.31%，ADCd为81.17%。抗氧化酶活性随着添加水平的提高而显著提高。过氧化氢酶（CAT）、过氧化物酶（POD）和超氧化物歧化酶（SOD）活性在T3时达到峰值，CAT为2.90µmol/min/mg， POD为82.29µmol/min/mg， SOD为23.55µmol/min/mg。脂质过氧化（LPO/TBARS）活性降低，表明氧化应激减轻。该研究表明，通过分子对接，将传统草药与可持续水产养殖实践的现代环境科学联系起来，可能产生抗生育作用。进一步的研究应集中在体内验证和综合生态毒理学评估上。

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来源期刊

Aquaculture International 农林科学-渔业

CiteScore

5.10

自引率

6.90%

发文量

204

审稿时长

1.0 months

期刊介绍： Aquaculture International is an international journal publishing original research papers, short communications, technical notes and review papers on all aspects of aquaculture. The Journal covers topics such as the biology, physiology, pathology and genetics of cultured fish, crustaceans, molluscs and plants, especially new species; water quality of supply systems, fluctuations in water quality within farms and the environmental impacts of aquacultural operations; nutrition, feeding and stocking practices, especially as they affect the health and growth rates of cultured species; sustainable production techniques; bioengineering studies on the design and management of offshore and land-based systems; the improvement of quality and marketing of farmed products; sociological and societal impacts of aquaculture, and more. This is the official Journal of the European Aquaculture Society.