Exploring the Potential of Nuciferine in Diabetes Management via PTGS2 Pathway Targeting by Network Analysis and in Silico Modeling Approach.

IF 3.5 4区 医学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY
N Sridevi, Thirumal Margesan
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引用次数: 0

Abstract

Introduction: Diabetes mellitus, a chronic metabolic disorder characterized by elevated blood glucose levels, has emerged as a significant global health burden. Chronic inflammation and insulin resistance are central to the pathogenesis of non-insulin- dependent (type 2) diabetes mellitus. PTGS2 (prostaglandin-endoperoxide synthase 2) has been implicated in inflammatory pathways associated with diabetic complications, making it a potential therapeutic target.

Methods: Advanced computational methodologies were employed to identify potential natural compounds with anti-diabetic activity. Techniques included network pharmacology to establish compound-target-pathway relationships and in silico molecular docking to evaluate binding affinity and interaction profiles of selected phytochemicals with PTGS2.

Results: PTGS2 and its downstream prostaglandin pathways were strongly associated with diabetic inflammation and insulin resistance. Molecular docking identified Corytuberine and Nuciferine as having high binding affinities with PTGS2. Network pharmacology analysis confirmed Nuciferine's connection to PTGS2, supporting its role as a bioactive agent targeting diabetes-related inflammatory processes.

Discussion: The findings suggest that PTGS2 contributes to the progression of insulin resistance and chronic inflammation in type 2 diabetes. Targeting this enzyme with bioactive compounds such as Nuciferine may offer therapeutic benefits. However, translational studies and clinical trials are essential to validate these computational predictions and assess safety and efficacy in vivo.

Conclusion: Nuciferine exhibits promising potential in modulating PTGS2 activity and improving insulin sensitivity. Continued research and clinical validation are needed to confirm its efficacy and support the development of novel anti-diabetic therapies targeting inflammatory pathways.

通过网络分析和计算机建模方法探索荷叶碱在PTGS2通路靶向糖尿病管理中的潜力。
糖尿病是一种以血糖水平升高为特征的慢性代谢性疾病,已成为全球重大的健康负担。慢性炎症和胰岛素抵抗是非胰岛素依赖型(2型)糖尿病发病机制的核心。PTGS2(前列腺素内过氧化物合成酶2)与糖尿病并发症相关的炎症通路有关,使其成为潜在的治疗靶点。方法:采用先进的计算方法鉴定具有抗糖尿病活性的潜在天然化合物。技术包括网络药理学,建立化合物-靶标-途径关系;硅分子对接,评估选定的植物化学物质与PTGS2的结合亲和力和相互作用谱。结果:PTGS2及其下游前列腺素通路与糖尿病炎症和胰岛素抵抗密切相关。分子对接鉴定出绿堇素和灯叶碱与PTGS2具有较高的结合亲和力。网络药理学分析证实了Nuciferine与PTGS2的联系,支持其作为针对糖尿病相关炎症过程的生物活性剂的作用。讨论:研究结果表明,PTGS2参与2型糖尿病胰岛素抵抗和慢性炎症的进展。针对这种酶的生物活性化合物,如灯叶碱可能提供治疗的好处。然而,转化研究和临床试验对于验证这些计算预测和评估体内安全性和有效性至关重要。结论:荷叶碱具有调节PTGS2活性和改善胰岛素敏感性的潜力。需要继续的研究和临床验证来确认其有效性,并支持针对炎症途径的新型抗糖尿病疗法的发展。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Current medicinal chemistry
Current medicinal chemistry 医学-生化与分子生物学
CiteScore
8.60
自引率
2.40%
发文量
468
审稿时长
3 months
期刊介绍: Aims & Scope Current Medicinal Chemistry covers all the latest and outstanding developments in medicinal chemistry and rational drug design. Each issue contains a series of timely in-depth reviews and guest edited thematic issues written by leaders in the field covering a range of the current topics in medicinal chemistry. The journal also publishes reviews on recent patents. Current Medicinal Chemistry is an essential journal for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important developments.
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