揭示银杏叶的治疗潜力:治疗帕金森病的网络药理学方法

Q4 Pharmacology, Toxicology and Pharmaceutics Ankara Universitesi Eczacilik Fakultesi Dergisi Pub Date : 2023-12-08 DOI:10.33483/jfpau.1340094
Shiva Pri̇ya, Mehak Tyagi, Devadharshini Dhandayuthapani, Jayaram Saravanan
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引用次数: 0

摘要

目的:利用网络药理学方法,研究银杏叶中可能调节帕金森病发病机制中主要治疗靶点作用的主要植物成分。材料与方法:利用各种在线数据库和软件对银杏叶中的植物成分及其治疗靶点和帕金森病靶点进行鉴定。对所鉴定的植物成分进行了几种药代动力学性质评价和药物相似性研究。对具有良好药动学和药物相似特性的植物成分和具有较好拓扑参数的靶点进行分子对接研究和MMGBSA分析。结果与讨论:本研究鉴定出银杏中存在125种主要植物成分,其中30种植物成分通过了药代动力学和药物相似性测试。这些植物成分的治疗靶点为468个,PD的疾病靶点为2033个。发现植物靶点与疾病靶点之间共有44个靶点。根据Cytoscape 3.9.1软件中的度中心性和中间度中心性等拓扑参数,确定了44个常见靶点中的5个顶级蛋白CNR1、HPGDS、AR、RXRA和HDAC1。对接研究和MMGBSA分析显示,β -eudesmol与前5个治疗靶点具有更好的相互作用。
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UNVEILING THE THERAPEUTIC POTENTIAL OF GINKGO BILOBA: A NETWORK PHARMACOLOGY APPROACH FOR PARKINSON’S DISEASE
Objective: The aim of the current study is to identify the major phytoconstituents in Ginkgo biloba that could modulate the role of major therapeutic targets involved in the pathogenesis of Parkinson’s disease using approaches in network pharmacology. Material and Method: The phytoconstituents in Ginkgo biloba and their therapeutic targets and the targets of Parkinson’s disease were identified using various online databases and software. The identified phytoconstituents were subjected to evaluation of several pharmacokinetic properties and druglikeness study. The phytoconstituents with favourable pharmacokinetic and druglikeness properties and targets with better topological parameters were subjected to molecular docking study and MMGBSA analysis. Result and Discussion: This study identified the presence of 125 major phytoconstituents in Ginkgo biloba and out of 125 phytoconstituents, 30 phytoconstituents passed the pharmacokinetics and druglikeness property. The therapeutic targets for these selected phytoconstituents were found to be 468 and the disease targets in PD were found to be 2033. The common targets between phyto-targets and disease targets were found to be 44 targets. Out of 44 common targets, 5 top proteins CNR1, HPGDS, AR, RXRA and HDAC1 were identified on the basis of the topological parameters such as degree centrality and betweenness centrality in the Cytoscape 3.9.1 software. The docking studies and MMGBSA analysis revealed that beta-eudesmol has better interaction with the top 5 therapeutic targets.
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来源期刊
Ankara Universitesi Eczacilik Fakultesi Dergisi
Ankara Universitesi Eczacilik Fakultesi Dergisi Pharmacology, Toxicology and Pharmaceutics-Pharmaceutical Science
CiteScore
0.80
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发文量
70
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