增加血小板的分子机制:番石榴中活性化合物的硅学研究

Khoerina Salwa, R. Susanti, D. Utomo, Ari Yuniastuti, Nugrahaningsih Wh
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引用次数: 0

摘要

登革热病毒感染会导致血小板减少。番石榴被人们广泛用于增加血小板数量。本研究旨在对番石榴果实中的化合物增加血小板的分子机制进行硅学分析。番石榴果实中的化合物来自杜克博士的植物化学和民族植物学数据库,其中包括黄酮类、萜类、单宁酸、生物碱和脂肪酸等次级代谢产物。使用 PharmMapper 预测了目标蛋白质。使用 STRING 创建蛋白质相互作用网络,并使用 Cytoscape 进行可视化和分析。通过拓扑、模块化、功能和 KEGG 通路分析确定潜在的目标蛋白质。度和间度中心性是拓扑分析的参数,得分最高的聚类被选为功能模块。结果表明,MAPK1、MAPK14 和 AKT1 参与了许多炎症通路,MMP9 是直接参与增加血管通透性的靶蛋白。熊果酸、法呢烯、β-胡萝卜素和α-亚麻酸抑制 MAPK1,柠檬醛、鞣花酸、棕榈酸和齐墩果酸抑制 MAPK14,愈创木酚、泛酸和柠檬酸抑制 AKT1,愈创木酚和泛酸抑制 MMP9。结论是番石榴果实中的生物活性化合物通过抑制 MAPK、PI3K-Akt 途径和白细胞跨内皮迁移,从而抑制或减少炎症介质的产生和表达以及血管通透性,起到增加血小板的作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Molecular Mechanisms of Increased Platelets: An In Silico of the Active Compounds in Psidium guajava
Dengue virus infection causes thrombocytopenia. Psidium guajava is widely used by people to increase platelet counts. This research aims to analyze in silico the molecular mechanisms of compounds in guava fruit in increasing platelets. The compounds in guava fruit were taken from Dr. Duke's Phytochemical and Ethnobotanical Databases, which include secondary metabolites such as flavonoids, terpenoids, tannins, alkaloids, and fatty acids. Target proteins were predicted using PharmMapper. Protein interaction networks were created using STRING, visualized, and analyzed using Cytoscape. Potential target proteins were identified by topology, modularity, functional, and KEGG pathway analysis. Degree and betweenness centrality are parameters in topological analysis and the cluster with the highest score is selected as the functional module. The results showed that MAPK1, MAPK14, and AKT1 are involved in many inflammatory pathways, and MMP9 is a target protein directly involved in increasing vascular permeability. The compounds arjunolic acid, farnesene, beta-carotene, and alpha-linolenic acid inhibit MAPK1, citral, ellagic acid, palmitic acid, and oleanolic acid inhibit MAPK14, guaijaverin, pantothenic acid, and citric acid inhibit AKT1, guaijaverin and pantothenic acid inhibit MMP9. It was concluded that the bioactive compounds in guava fruit play a role in increasing platelets by inhibiting the MAPK, PI3K-Akt pathways, and leukocyte trans-endothelial migration, thereby inhibiting or reducing the production and expression of inflammatory mediators and vascular permeability.
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