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    孙嘉禾, 刁　虹, 杨海欣, 等. 基于网络药理学探讨黑果枸杞多酚缓解二苯甲酮-3致雄性泌尿生殖损伤机制的研究[J]. 广西医科大学学报, 2024, 41(X): 1-9. DOI：.
    引用本文: 孙嘉禾, 刁　虹, 杨海欣, 等. 基于网络药理学探讨黑果枸杞多酚缓解二苯甲酮-3致雄性泌尿生殖损伤机制的研究[J]. 广西医科大学学报, 2024, 41(X): 1-9. DOI：.
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    SUN J H, DIAO H, YANG H X, et al. Study on the mechanism of black Chinese wolfberry (Lycium ruthenicum Murr.) polyphenols relieving male urogenital damage caused by benzophenone-3 based on network pharmacology[J]. Journal of Guangxi medical university, 2024, 41(X): 1-9. DOI：.
    Citation: SUN J H, DIAO H, YANG H X, et al. Study on the mechanism of black Chinese wolfberry (Lycium ruthenicum Murr.) polyphenols relieving male urogenital damage caused by benzophenone-3 based on network pharmacology[J]. Journal of Guangxi medical university, 2024, 41(X): 1-9. DOI：.
    shu

    基于网络药理学探讨黑果枸杞多酚缓解二苯甲酮-3致雄性泌尿生殖损伤机制的研究

    Study on the mechanism of black Chinese wolfberry (Lycium ruthenicum Murr.) polyphenols relieving male urogenital damage caused by benzophenone-3 based on network pharmacology

      摘要
    • 摘要:
      目的 研究黑果枸杞多酚对二苯甲酮-3（BP-3）致雄性泌尿生殖损伤的影响及其机制。
      方法 分别通过CTD数据库和SwissTargetPrediction、TargetNet数据库筛选出BP-3的雄性泌尿生殖毒性靶点和黑果枸杞多酚的药理靶点；通过Venny2.1.0工具得到BP-3与黑果枸杞多酚的交集靶点。将靶点输入STRING数据库，构建蛋白相互作用网络。在R语言中进行GO生物学过程富集分析和KEGG代谢途径富集分析。运用Cytoscape3.8.2软件构建黑果枸杞多酚—共同靶点—通路网络。利用AutoDockvina1.1.2软件将上述靶点分别与黑果枸杞多酚及BP-3进行分子对接。
      结果 筛选得到56个BP-3雄性泌尿生殖系统潜在作用靶点，296个黑果枸杞多酚的潜在药理靶点，交集靶点14个。药物代谢动力学分析得出，黑果枸杞多酚中对香豆酸、咖啡酸有较好类药性和较强肠道吸收性；GO、KEGG富集分析结果提示BP-3和黑果枸杞多酚可作用于雄性泌尿生殖系统；共同靶点—通路网络分析结果表明，PIK3R1、TP53等分子可能在黑果枸杞多酚缓解BP-3所致的雄性泌尿生殖损伤中发挥着重要作用；分子对接结果表明，BP-3和黑果枸杞多酚可通过氢键等化学键形式与PIK3R1、TP53、ESR1、PTGS2、ESR2活性位点附近的氨基酸结合，且两者与靶蛋白间均具有较强的结合能。
      结论 黑果枸杞多酚可以从一定程度上缓解BP-3所致的雄性泌尿生殖损伤效应，PIK3R1、TP53、ESR1、PTGS2、ESR2等靶点分子可能介导了上述拮抗效应。

       

      Abstract:
      Objective To investigate the effects of the polyphenols extracted from Lycium ruthenicum Murr. (L. ruthenicum) on male urogenital damage caused by benzophenone-3 (BP-3) and its mechanism.
      Methods The male urogenital toxicity targets of BP-3 and the pharmacological targets of L. ruthenicum polyphenols were screened by the CTD database, SwissTargetPrediction and TargetNet databases, respectively. The intersecting targets of BP-3 and L. ruthenicum polyphenols were obtained by the Venny 2.1.0 tool. The targets were entered into the STRING database to construct a protein interaction network. GO biological process enrichment analysis and KEGG metabolic pathway enrichment analysis were performed in R language environment. Cytoscape 3.8.2 software was used to construct the polyphenol-common target-pathway network of L. ruthenicum. AutoDock Vina 1.1.2 software was used to molecularly dock the above targets with L. ruthenicum and BP-3, respectively.
      Results A total of 56 potential targets of the BP-3 male urogenital system, 296 potential pharmacological targets of L. ruthenicum polyphenols, and 14 intersecting targets were screened out. The pharmacokinetic analysis showed that the components of L. ruthenicum polyphenols-coumaric acid and caffeic acid had better drug-like properties and stronger intestinal absorption. The results of GO and KEGG enrichment analyses suggested that BP-3 and L. ruthenicum polyphenols could act on the male urogenital system. The results of the common target-pathway network analyses showed that molecules such as PIK3R1 and TP53 might play a crucial role in L. ruthenicum polyphenols alleviating BP-3-induced male urogenital injury. The molecular docking results showed that BP-3 and L. ruthenicum polyphenols could bind to the amino acids near the active sites of PIK3R1, TP53, ESR1, PTGS2, and ESR2 through chemical bonding forms such as hydrogen bonding, and both had strong binding energy with target proteins.
      Conclusion The L. ruthenicum polyphenols could alleviate BP-3-induced male urogenital damage to a certain extent, and the target molecules such as PIK3R1, TP53, ESR1, PTGS2, and ESR2 may mediate the above antagonistic effects.

       

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