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整合网络药理学和分子对接方法以阐明[具体药物名称]治疗类风湿性关节炎的机制 。 (注:原文中“for the Treatment of Rheumatoid Arthritis”前缺失具体药物相关内容)

Integrating Network Pharmacology and Molecular Docking Approach to Elucidate the Mechanism of for the Treatment of Rheumatoid Arthritis.

作者信息

Abdel-Maksoud Mostafa A, Askar Mostafa A, Abdel-Rahman Ibrahim Y, Gharib Mustafa, Aufy Mohammed

机构信息

Department of Botany and Microbiology, College of Science, King Saud University, Riyadh, Saudi Arabia.

Radiation Biology Department, National Centre for Radiation Research and Technology (NCRRT), Egyptian Atomic Energy Authority (EAEA), Cairo, Egypt.

出版信息

Bioinform Biol Insights. 2024 May 18;18:11779322241247634. doi: 10.1177/11779322241247634. eCollection 2024.

Abstract

BACKGROUND

Rheumatoid arthritis (RA) is considered a notable prolonged inflammatory condition with no proper cure. Synovial inflammation and synovial pannus are crucial in the onset of RA. The "tumor-like" invading proliferation of new arteries is a keynote of RA. Commiphora wightii () is a perennial, deciduous, and trifoliate plant used in several areas of southeast Asia to cure numerous ailments, including arthritis, diabetes, obesity, and asthma. Several investigations have indicated therapeutic efficacy in the treatment of arthritis. However, the precise molecular action is yet unknown.

MATERIAL AND METHODS

In this study, a network pharmacology approach was applied to uncover potential targets, active therapeutic ingredients and signaling pathways in for the treatment of arthritis. In the groundwork of this research, we examined the active constituent-compound-target-pathway network and evaluated that (Guggulsterol-V, Myrrhahnone B, and Campesterol) decisively donated to the development of arthritis by affecting tumor necrosis factor (TNF), PIK3CA, and MAPK3 genes. Later on, docking was employed to confirm the active components' efficiency against the potential targets.

RESULTS

According to molecular-docking research, several potential targets of RA bind tightly with the corresponding key active ingredient of With the aid of network pharmacology techniques, we conclude that the signaling pathways and biological processes involved in had an impact on the prevention of arthritis. The outcomes of molecular docking also serve as strong recommendations for future research. In the context of this study, network pharmacology combined with molecular docking analysis showed that acted on arthritis-related signaling pathways to exhibit a promising preventive impact on arthritis.

CONCLUSION

These results serve as the basis for grasping the mechanism of the antiarthritis activity of . However, further / study is needed to verify the reliability of these targets for the treatment of arthritis.

摘要

背景

类风湿性关节炎(RA)被认为是一种显著的慢性炎症性疾病,尚无根治方法。滑膜炎症和滑膜血管翳在类风湿性关节炎的发病过程中至关重要。新生动脉的“肿瘤样”侵袭性增殖是类风湿性关节炎的一个关键特征。阿魏(Commiphora wightii)是一种多年生落叶三出复叶植物,在东南亚的多个地区被用于治疗多种疾病,包括关节炎、糖尿病、肥胖症和哮喘。多项研究表明其在治疗关节炎方面具有疗效。然而,其确切的分子作用尚不清楚。

材料与方法

在本研究中,应用网络药理学方法来揭示阿魏治疗关节炎的潜在靶点、活性治疗成分和信号通路。在本研究的基础上,我们研究了活性成分 - 化合物 - 靶点 - 通路网络,并评估了(古古甾醇 - V、没药萘醌B和菜油甾醇)通过影响肿瘤坏死因子(TNF)、PIK3CA和MAPK3基因对关节炎的发展起决定性作用。随后,采用对接技术来确认活性成分对潜在靶点的有效性。

结果

根据分子对接研究,类风湿性关节炎的几个潜在靶点与阿魏相应的关键活性成分紧密结合。借助网络药理学技术,我们得出结论,阿魏所涉及的信号通路和生物学过程对关节炎的预防有影响。分子对接的结果也为未来的研究提供了有力的建议。在本研究的背景下,网络药理学与分子对接分析相结合表明,阿魏作用于与关节炎相关的信号通路,对关节炎表现出有前景的预防作用。

结论

这些结果为理解阿魏抗关节炎活性的机制奠定了基础。然而,需要进一步的研究来验证这些靶点治疗关节炎的可靠性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9e52/11102677/e637c35ed322/10.1177_11779322241247634-fig1.jpg

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