Scholarlink

<p>Wuzi Yanzong Pill (WZYZP) is a traditional Chinese medicine formula extensively used in China to treat male reproductive dysfunction, with a specific focus on invigorating the kidney. Despite its observed efficacy, the exact mechanisms and therapeutic targets remain unclear. The primary goal of this study is to elucidate the potential molecular targets and underlying mechanisms of WZYZP in the treatment of asthenozoospermia (AZS). It will be achieved through the integration of network pharmacology and bioinformatics analyses in a comprehensive and systematic approach. This study employed bioinformatics analysis and network pharmacology methodologies, encompassing: construction of protein-protein interaction (PPI) networks; development of ‘Ingredients-Potential Target Genes-Signaling Pathways’ (IPS) networks; Gene Ontology (GO) functional annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis; differential gene analysis; molecular docking; and molecular dynamics simulations (MDS). Through network pharmacology analysis, we identified 485 potential targets of WZYZP. Cross-referencing with disease databases resulted in 57 intersecting targets pertinent to both WZYZP and AZS. Construction of the IPS network further determined eight core candidate targets: <i>PIK3R1</i>, <i>MAPK3</i>, <i>GSK3B</i>, <i>AKT1</i>, <i>MAPK14</i>, <i>ESR1</i>, <i>ESR2</i>, and <i>CYP17A1</i>. GO and KEGG pathway enrichment analyses highlighted significant involvement in prolactin signaling, endocrine resistance, and estrogen signaling pathways. Molecular docking and MDS confirmed stable binding of WZYZP components to all eight core targets. Our findings suggest that WZYZP may exert therapeutic effects in AZS by targeting eight pivotal genes (<i>PIK3R1</i>, <i>MAPK3</i>, <i>GSK3B</i>, <i>AKT1</i>, <i>MAPK14</i>, <i>ESR1</i>, <i>ESR2</i>, <i>and CYP17A1</i>). This is achieved through modulation of prolactin signaling, estrogen signaling, and endocrine resistance, thereby inhibiting inflammatory damage, antagonizing apoptotic signaling, maintaining hormonal homeostasis, and restoring metabolic imbalance.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Deciphering the Therapeutic Mechanisms of Wuzi Yanzong Pill for Asthenozoospermia: A Synergistic Approach Combining Bioinformatics and Molecular Dynamics

  • 期刊论文

  • 发表日期：

    2025年8月9日

查看全文
  • Zi-Hao Liu,
  • Shuang-Yang Li,
  • Bi-Jun Li,
  • Fan Zhang,
  • Xiang-Guang Li,
  • Xuan Li,
  • Jie Zheng

摘要

Wuzi Yanzong Pill (WZYZP) is a traditional Chinese medicine formula extensively used in China to treat male reproductive dysfunction, with a specific focus on invigorating the kidney. Despite its observed efficacy, the exact mechanisms and therapeutic targets remain unclear. The primary goal of this study is to elucidate the potential molecular targets and underlying mechanisms of WZYZP in the treatment of asthenozoospermia (AZS). It will be achieved through the integration of network pharmacology and bioinformatics analyses in a comprehensive and systematic approach. This study employed bioinformatics analysis and network pharmacology methodologies, encompassing: construction of protein-protein interaction (PPI) networks; development of ‘Ingredients-Potential Target Genes-Signaling Pathways’ (IPS) networks; Gene Ontology (GO) functional annotation and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis; differential gene analysis; molecular docking; and molecular dynamics simulations (MDS). Through network pharmacology analysis, we identified 485 potential targets of WZYZP. Cross-referencing with disease databases resulted in 57 intersecting targets pertinent to both WZYZP and AZS. Construction of the IPS network further determined eight core candidate targets: PIK3R1, MAPK3, GSK3B, AKT1, MAPK14, ESR1, ESR2, and CYP17A1. GO and KEGG pathway enrichment analyses highlighted significant involvement in prolactin signaling, endocrine resistance, and estrogen signaling pathways. Molecular docking and MDS confirmed stable binding of WZYZP components to all eight core targets. Our findings suggest that WZYZP may exert therapeutic effects in AZS by targeting eight pivotal genes (PIK3R1, MAPK3, GSK3B, AKT1, MAPK14, ESR1, ESR2, and CYP17A1). This is achieved through modulation of prolactin signaling, estrogen signaling, and endocrine resistance, thereby inhibiting inflammatory damage, antagonizing apoptotic signaling, maintaining hormonal homeostasis, and restoring metabolic imbalance.