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基于网络药理学和实验验证整合方法探讨益肾健脾沥瘀汤治疗 PCOS 不孕的作用机制。

Mechanism of YJKL Decoction in Treating of PCOS Infertility by Integrative Approach of Network Pharmacology and Experimental Verification.

机构信息

College of Basic Medicine, Anhui Medical University, Hefei, 230032, People's Republic of China.

Center for Scientific Research, Anhui Medical University, Hefei, 230032, People's Republic of China.

出版信息

Drug Des Devel Ther. 2024 Aug 28;18:3853-3870. doi: 10.2147/DDDT.S456656. eCollection 2024.

Abstract

PURPOSE

Currently, there is still no clear treatment for polycystic ovary syndrome (PCOS). YJKL has better therapeutic effects and lower toxic side effects for PCOS type infertility. This study aims to clarify the potential mechanism of YJKL Decoction in the treatment of PCOS based on network pharmacology and experiments verification.

PATIENTS AND METHODS

Network pharmacology and experimental validation approach were used to investigate the bioactive ingredients, critical targets and potential mechanisms of YJKL Decoction against PCOS. Firstly, we use network pharmacology methods to collect core targets, and then validate their effects on diseases through experiments.

RESULTS

Five core targets were screened, Threonine kinase 1 (AKT1), Cellular tumor antigen p53 (TP53), Tumor necrosis factor (TNF), Albumin (ALB) and Vascular endothelial growthfactor A (VEGFA). KEGG analysis showed that YJKL treatment for PCOS mainly include AGE-RAGE signaling pathway in diabetic complications, TNF signaling pathway and HIF-1 signaling pathway. The molecular docking results showed that compounds have higher affinity with targets. Finally, experimental results had shown that YJKL Decoction had an better therapeutic effects in the treatment of PCOS.

CONCLUSION

Based on a systematic network pharmacology approach and experimental verification, our results comprehensively illustrated the active ingredients, potential targets, and molecular mechanism of YJKL for application to PCOS and helps to illustrate mechanism of action on a comprehensive level.

摘要

目的

目前多囊卵巢综合征(PCOS)尚无明确的治疗方法。YJKL 对 PCOS 型不孕具有更好的治疗效果和更低的毒副作用。本研究旨在基于网络药理学和实验验证,阐明 YJKL 汤治疗 PCOS 的潜在机制。

方法

采用网络药理学和实验验证方法,研究 YJKL 汤治疗 PCOS 的生物活性成分、关键靶点和潜在机制。首先,我们使用网络药理学方法收集核心靶点,然后通过实验验证它们对疾病的影响。

结果

筛选出 5 个核心靶点,分别为丝氨酸苏氨酸激酶 1(AKT1)、肿瘤蛋白 p53(TP53)、肿瘤坏死因子(TNF)、白蛋白(ALB)和血管内皮生长因子 A(VEGFA)。KEGG 分析表明,YJKL 治疗 PCOS 主要涉及糖尿病并发症中的 AGE-RAGE 信号通路、TNF 信号通路和 HIF-1 信号通路。分子对接结果表明,化合物与靶点具有更高的亲和力。最后,实验结果表明 YJKL 汤在治疗 PCOS 方面具有更好的治疗效果。

结论

基于系统的网络药理学方法和实验验证,我们的结果全面阐明了 YJKL 治疗 PCOS 的活性成分、潜在靶点和分子机制,有助于从综合层面阐明作用机制。

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