A molecular docking insight: Phyllanthus niruri L. constituents targeting MMP-9 for angiogenesis inhibition and IL-1β for anti-inflammatory action in endometriosis therapy

被引:0
作者
Wulandari, Eka Tri [1 ,7 ]
Soetrisno [1 ,2 ]
Purwanto, Bambang [1 ,3 ]
Reviono [1 ,4 ]
Ertanto, Yogi [5 ]
Sunowo, Joko [6 ]
机构
[1] Univ Sebelas Maret, Fac Med, Doctoral Program Med Sci, Surakarta 57126, Indonesia
[2] Univ Sebelas Maret, Fac Med, Dept Obstet & Gynecol, USM Hosp, Surakarta 57126, Indonesia
[3] Sebelas Maret Univ, Fac Med, Dept Internal Med, USM Hosp, Surakarta 57126, Indonesia
[4] Univ Sebelas Maret, USM Hosp, Fac Med, Dept Pulmonol & Resp Med, Surakarta 57126, Indonesia
[5] Univ Pertahanan Republ Indonesia, Fac Mil Pharm, Bogor 16810, Indonesia
[6] Malahayati Univ, Fac Hlth Sci, Dept Pharm Study Program, Lampung 35152, Indonesia
[7] Univ Aisyah Pringsewu, Fac Hlth Sci, Midwifery Study Program, Lampung 35371, Indonesia
来源
PLANT SCIENCE TODAY | 2024年 / 11卷 / 04期
关键词
Endometriosis; Phyllanthus niruri; molecular docking; MMP-9; IL-1; beta;
D O I
10.14719/pst.3224
中图分类号
Q94 [植物学];
学科分类号
071001 ;
摘要
Endometriosis, characterized by inflammatory lesions resembling endometrium outside the uterine cavity, induces chronic inflammation, anatomical changes and persistent pain. The expression of Interleukin 1 beta ( IL-1 beta) is significantly associated with endometriosis, contributing to inflammatory process and fertility issues. Matrix metalloproteinase 9 (MMP-9) is crucial in the adhesion and angiogenesis of endometrial tissue. This study investigates the potential of Phyllanthus niruri L. in inhibiting MMP-9 and IL-1 beta through molecular docking analysis. Molecular docking was performed using Discovery Studio Visualizer, Open Babel, PyRx and AutoDock Vina. The inhibitory activities of bioactive compounds on MMP-9 and IL-1 beta were predicted. Biological activity and cytotoxicity were assessed using PASS and CLC-Pred respectively. Kaempferol and quercetin from P. niruri exhibited significant MMP-9 expression inhibitory activity. Search Tool for Interacting Chemicals (STITCH) analysis revealed interactions of quercetin and galangin with specific proteins involved in pathways related to endometriosis. Biological activity analysis indicated that quercetin, kaempferol, herbacetin and galangin show potential as MMP-9 expression inhibitors. CLC-Pred analysis suggested high cytotoxicity of kaempferol against glioma. Molecular docking results showed quercetin's potential as an MMP-9 inhibitor and galangin's potential as an IL-1 beta inhibitor. These findings support the therapeutic potential of P. niruri for endometriosis, providing insights for further research in developing innovative therapies targeting endometriosis-related inflammation and angiogenesis.
引用
收藏
页码:259 / 267
页数:9
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