通过网络药理学和实验验证的综合方法研究玉竹水煎剂治疗多囊卵巢综合征不孕症的机理。

IF 4.7 2区 医学 Q1 CHEMISTRY, MEDICINAL Drug Design, Development and Therapy Pub Date : 2024-08-28 eCollection Date: 2024-01-01 DOI:10.2147/DDDT.S456656
Rongrong Zhang, Wenjun Xu, Hongquan Wei, Boshi Li, Yaoxing Wang, Xueqing He, Jun Cao, Xinyu He, Mingxiang Xu, Wenjie Lu, Youzhi Xu
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引用次数: 0

摘要

目的:目前,多囊卵巢综合征(PCOS)尚无明确的治疗方法。玉竹水煎剂对多囊卵巢综合征(PCOS)型不孕症具有较好的治疗效果和较低的毒副作用。本研究旨在基于网络药理学和实验验证,阐明玉竹水煎剂治疗多囊卵巢综合征的潜在机制:采用网络药理学和实验验证的方法,研究玉竹水煎剂的生物活性成分、关键靶点和治疗多囊卵巢综合征的潜在机制。首先利用网络药理学方法收集核心靶点,然后通过实验验证其对疾病的作用:结果:筛选出五个核心靶点:苏氨酸激酶1(AKT1)、细胞肿瘤抗原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治疗多囊卵巢综合征主要包括糖尿病并发症中的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,化合物与靶标具有更高的亲和力。最后,实验结果表明,YJKL煎剂在治疗多囊卵巢综合征方面具有更好的疗效:基于系统的网络药理学方法和实验验证,我们的研究结果全面阐述了玉竹水煎剂应用于多囊卵巢综合征的有效成分、潜在靶点和分子机制,有助于从整体上阐明玉竹水煎剂的作用机制。
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Mechanism of YJKL Decoction in Treating of PCOS Infertility by Integrative Approach of Network Pharmacology and Experimental Verification.

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.

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来源期刊
Drug Design, Development and Therapy
Drug Design, Development and Therapy CHEMISTRY, MEDICINAL-PHARMACOLOGY & PHARMACY
CiteScore
9.00
自引率
0.00%
发文量
382
审稿时长
>12 weeks
期刊介绍: Drug Design, Development and Therapy is an international, peer-reviewed, open access journal that spans the spectrum of drug design, discovery and development through to clinical applications. The journal is characterized by the rapid reporting of high-quality original research, reviews, expert opinions, commentary and clinical studies in all therapeutic areas. Specific topics covered by the journal include: Drug target identification and validation Phenotypic screening and target deconvolution Biochemical analyses of drug targets and their pathways New methods or relevant applications in molecular/drug design and computer-aided drug discovery* Design, synthesis, and biological evaluation of novel biologically active compounds (including diagnostics or chemical probes) Structural or molecular biological studies elucidating molecular recognition processes Fragment-based drug discovery Pharmaceutical/red biotechnology Isolation, structural characterization, (bio)synthesis, bioengineering and pharmacological evaluation of natural products** Distribution, pharmacokinetics and metabolic transformations of drugs or biologically active compounds in drug development Drug delivery and formulation (design and characterization of dosage forms, release mechanisms and in vivo testing) Preclinical development studies Translational animal models Mechanisms of action and signalling pathways Toxicology Gene therapy, cell therapy and immunotherapy Personalized medicine and pharmacogenomics Clinical drug evaluation Patient safety and sustained use of medicines.
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