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<p>Cytochrome P450 17α-hydroxylase/17,20-lyase (<i>cyp17</i>) is a key steroidogenic enzyme involved in the biosynthesis of sex steroids such as dehydroepiandrosterone (DHEA) and androstenedione (AD), playing a crucial role in vertebrate reproduction. In this study, we successfully cloned and characterized the full-length <i>cyp17</i> gene (1545&#xa0;bp) from <i>Clarias magur</i>. Phylogenetic analysis revealed a high degree of sequence similarity with <i>Clarias gariepinus</i>, placing <i>C. magur</i> within the Siluroidei clade. Targeted active-site molecular docking analyses revealed favorable interactions between <i>C. magur cyp17</i> and several steroid ligands, suggesting its potential catalytic relevance in steroidogenesis. Further, molecular dynamics (MD) simulations demonstrated stable structural behavior of the modeled <i>cyp17</i> protein over a 200-ns simulation period, with an average backbone RMSD of ~ 0.32&#xa0;nm and radius of gyration (Rg) of ~ 2.34&#xa0;nm, indicating overall conformational stability. Expression profiling revealed predominant <i>cyp17</i> mRNA expression in the testis, followed by the seminal vesicle and ovary, with minimal expression in other somatic tissues. Notably, <i>cyp17</i> expression in the seminal vesicle is reported for the first time in this species. Temporal expression analysis across reproductive stages indicated a significant upregulation of <i>cyp17</i> during the spawning phase, suggesting its critical role in steroidogenesis and gamete maturation. Additionally, administration of the synthetic hormone ovatide resulted in a marked increase in <i>cyp17</i> expression in both testis and ovary at 16&#xa0;h post-injection, correlating with the timing of induced ovulation and spermiation. Collectively, these findings enhance the understanding of steroidogenic regulation in <i>C. magur</i>, while future functional studies may help evaluate the applicability of <i>cyp17</i> in reproductive management and aquaculture breeding strategies.</p>

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Molecular characterization and expression profiling of cyp17 in the catfish Clarias magur with insights from molecular docking and molecular dynamics simulation

  • 期刊论文

  • 发表日期：

    2026年5月29日

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  • Maradode Jaywant Raghunath,
  • Dibyajyoti Uttameswar Behera,
  • Papuli Adhikary,
  • Sukanta Nath,
  • Sagar Chandra Mandal,
  • Ajaya Kumar Rout,
  • Bijay Kumar Behera,
  • Janmejay Parhi,
  • Partha Sarathi Tripathy

摘要

Cytochrome P450 17α-hydroxylase/17,20-lyase (cyp17) is a key steroidogenic enzyme involved in the biosynthesis of sex steroids such as dehydroepiandrosterone (DHEA) and androstenedione (AD), playing a crucial role in vertebrate reproduction. In this study, we successfully cloned and characterized the full-length cyp17 gene (1545 bp) from Clarias magur. Phylogenetic analysis revealed a high degree of sequence similarity with Clarias gariepinus, placing C. magur within the Siluroidei clade. Targeted active-site molecular docking analyses revealed favorable interactions between C. magur cyp17 and several steroid ligands, suggesting its potential catalytic relevance in steroidogenesis. Further, molecular dynamics (MD) simulations demonstrated stable structural behavior of the modeled cyp17 protein over a 200-ns simulation period, with an average backbone RMSD of ~ 0.32 nm and radius of gyration (Rg) of ~ 2.34 nm, indicating overall conformational stability. Expression profiling revealed predominant cyp17 mRNA expression in the testis, followed by the seminal vesicle and ovary, with minimal expression in other somatic tissues. Notably, cyp17 expression in the seminal vesicle is reported for the first time in this species. Temporal expression analysis across reproductive stages indicated a significant upregulation of cyp17 during the spawning phase, suggesting its critical role in steroidogenesis and gamete maturation. Additionally, administration of the synthetic hormone ovatide resulted in a marked increase in cyp17 expression in both testis and ovary at 16 h post-injection, correlating with the timing of induced ovulation and spermiation. Collectively, these findings enhance the understanding of steroidogenic regulation in C. magur, while future functional studies may help evaluate the applicability of cyp17 in reproductive management and aquaculture breeding strategies.