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通过网络药理学探索鳄梨治疗类风湿性关节炎的潜在生物活性成分

Exploring Potential Bioactive Components of Persea americana for the Treatment of Rheumatoid Arthritis through Network Pharmacology.

作者信息

Akey Krishna Swaroop, M Esakkimuthukumar, R Saranya, M Chandru, S Sowbarnika, J Sudharsan, V Dhanush, Prabha Thangavelu, S Jubie

机构信息

Department of Pharmaceutical Chemistry, JSS College of Pharmacy, JSS Academy of Higher Education and Research, Ooty, Tamilnadu, India.

Department of Pharmaceutical Chemistry, Nandha College of Pharmacy, Erode, Tamilnadu, India.

出版信息

Curr Rheumatol Rev. 2024 Aug 22. doi: 10.2174/0115733971294872240801113559.

Abstract

INTRODUCTION

Rheumatoid arthritis (RA) is a chronic autoimmune disease character-ized by inflammation and joint destruction, leading to significant disability and reduced quality of life. Current treatment options for RA have limitations, highlighting the need for novel therapeu-tic approaches. In this study, we employed network pharmacology methods to identify potential bioactive compounds from Persea Americana (avocado) for the treatment of RA.

MATERIALS AND METHODS

We collected information on the phytoconstituents of avocados from the IMPPAT database and used Data Warrior software to filter out 64 plant constituents based on ADMET criteria. Target genes associated with avocado compounds were identified using the Bindingdb web server, resulting in 209 genes from Persea Americana. Protein-protein interaction (PPI) network analysis was performed using Cytoscape software to identify key genes and pro-teins involved in RA. Protein-drug interactions were analyzed, and ten avocado constituents with high binding affinity were identified.

RESULTS AND DISCUSSION

Our network pharmacology analysis revealed that avocado constituents, particularly Luteolin, have the potential to be developed as novel therapeutics for RA. The PPI network analysis identified key genes and proteins associated with RA, providing insights into the molecular mechanisms of the disease. The high binding affinity observed between Luteolin and PTGS2, a protein involved in joint inflammation, suggests its potential effectiveness in mitigating RA-related inflammation.

CONCLUSION

Our study highlights the potential of avocado constituents, particularly Luteolin, as promising therapeutics for the treatment of rheumatoid arthritis (RA). Through network pharma-cology analysis, we identified key target genes and proteins associated with RA, shedding light on the underlying molecular mechanisms of the disease.

摘要

引言

类风湿性关节炎(RA)是一种慢性自身免疫性疾病,其特征为炎症和关节破坏,会导致严重残疾并降低生活质量。目前针对RA的治疗方案存在局限性,这凸显了对新型治疗方法的需求。在本研究中,我们采用网络药理学方法来鉴定来自鳄梨(Persea Americana)的潜在生物活性化合物用于治疗RA。

材料与方法

我们从IMPPAT数据库收集了鳄梨植物成分的信息,并使用Data Warrior软件根据ADMET标准筛选出64种植物成分。使用Bindingdb网络服务器鉴定与鳄梨化合物相关的靶基因,得到了来自鳄梨的209个基因。使用Cytoscape软件进行蛋白质-蛋白质相互作用(PPI)网络分析,以鉴定参与RA的关键基因和蛋白质。分析了蛋白质-药物相互作用,并鉴定出10种具有高结合亲和力的鳄梨成分。

结果与讨论

我们的网络药理学分析表明,鳄梨成分,特别是木犀草素,有潜力被开发为RA的新型治疗药物。PPI网络分析鉴定出了与RA相关的关键基因和蛋白质,为该疾病的分子机制提供了见解。木犀草素与参与关节炎症的蛋白质PTGS2之间观察到的高结合亲和力,表明其在减轻RA相关炎症方面的潜在有效性。

结论

我们的研究突出了鳄梨成分特别是木犀草素作为类风湿性关节炎(RA)治疗的有前景的治疗药物的潜力。通过网络药理学分析,我们鉴定出了与RA相关的关键靶基因和蛋白质,阐明了该疾病的潜在分子机制。

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