白花白花丹 (Plumbago zeylanica) 是阿育吠陀医学体系中用于治疗痔疮或痔疮的重要植物。尽管它具有临床用途，但其改善痔疮的分子机制尚未被探索。因此，本研究利用网络药理学和其他计算机分析方法评估了 P. zeylanica 治疗痔疮的合理分子机制。通过蛋白质、GO、KEGG富集分析进行网络药理学。对 P. zeylanica 所产生的生物活性化合物与调节蛋白的进一步 ADME/T、分子对接和动力学研究进行了评估。网络药理学分析结果表明，P. zeylanica 对痔疮的治疗作用涉及的关键途径和可能的分子机制是细胞迁移、增殖、运动和凋亡，这些途径与癌症、粘着斑和信号松弛素同步， Rap1 和钙途径表明血管生成和血管舒张的参与，这是痔疮的特征。此外，分子对接和动力学研究表明，P. zeylanica 的生物活性成分与痔疮环境中的关键靶蛋白强烈结合。因此，该研究揭示了 P. zeylanica 改善痔疮的机制。Ramaswamy H. Sarma 通讯。

Plumbago zeylanica is an important plant used in the Ayurvedic system of medicine for the treatment of hemorrhoids or piles. Despite its clinical uses, its molecular mechanism, for ameliorating hemorrhoids is not yet explored. Hence, the present study evaluated the plausible molecular mechanisms of P. zeylanica in the treatment of hemorrhoids using network pharmacology and other in silico analysis. Network pharmacology was carried out by protein, GO, and KEGG enrichment analysis. Further ADME/T, molecular docking and dynamics studies of the resultant bioactive compounds of P. zeylanica with the regulated proteins were evaluated. Results of the network pharmacology analysis revealed that the key pathways and plausible molecular mechanisms involved in the treatment effects of P. zeylanica on hemorrhoids are cell migration, proliferation, motility, and apoptosis which are synchronized by cancer, focal adhesion, and by signalling relaxin, Rap1, and calcium pathways which indicates the involvement of angiogenesis and vasodilation which are the characteristic features of hemorrhoids. Further, the molecular docking and dynamics studies revealed that the bio active ingredients of P. zeylanica strongly bind with the key target proteins in the ambiance of hemorrhoids. Hence, the study revealed the mechanism of P. zeylanica in ameliorating hemorrhoids.Communicated by Ramaswamy H. Sarma.