Translational psychiatry. 2025 Jun 16;15(1):202. doi: 10.1038/s41398-025-03410-7 Q16.22025
The molecular mechanisms through which psilocybin prevents suicide: evidence from network pharmacology and molecular docking analyses
网络药理学和分子对接分析证明裸盖菇素的抑止自杀分子机制研究 翻译改进
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DOI: 10.1038/s41398-025-03410-7 PMID: 40523911
摘要 中英对照阅读
裸黑菇中的裸露黑菌素(psilocybin)是研究最广泛的致幻剂之一,之前的研究表明它可能在自杀预防中发挥潜在的治疗作用。然而,裸露黑菌素如何帮助预防自杀的确切机制尚不清楚。因此,本研究利用网络药理学和分子对接工具来探索裸露黑菌素可能对自杀预防产生影响的机制。确定了与药物和疾病相关的靶点,并从生物信息学平台中提取重叠的药物和疾病相关靶点,然后将其导入STRING数据库以构建蛋白质-蛋白质相互作用(PPI)网络。基于使用Cytoscape 3.10.1进行的网络分析得出的拓扑参数选择了关键靶标。这些关键靶标进一步通过DAVID工具进行了GO和KEGG富集分析。在Cytoscape 3.10.1中构建了药物-疾病-靶点-途径网络。最后,使用AutoDock Vina和PyMOL软件进行分子对接分析,评估裸露黑菌素与关键靶标相互作用的潜力。共识别出46个与裸露黑菌素相关并涉及自杀治疗的潜在靶标,其中13个被导入DAVID工具进行富集分析。网络分析确定了四个可能作为裸露黑菌素在自杀预防中治疗靶标的-HTR2A、HTR2C、HTR7和PRKACA。富集分析结果显示,裸露黑菌素可通过调节血清素突触和钙信号传导途径来防止自杀。分子对接分析表明,HTR2A、HTR2C、HTR7和PRKACA与裸露黑菌素的结合强度较高。本研究为探讨裸露黑菌素在自杀预防中潜在作用的分子机制提供了见解,并为此类进一步的研究奠定了新的基础。
© 2025. The Author(s).
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