An Integrated Network Pharmacology and Molecular Modelling Study of Phytoconstituents Targeting Alzheimer's Disease
Medicine in Omics(2023)
摘要
•A total of 15 plants and 1443 phytoconstituents were identified through a literature survey and from several databases.•The pharmacokinetics study revealed that 7 phytoconstituents - glycyrrhisoflavone, eugenol, ferulic acid, methyl jasmonate, geranyl formate, formononetin, and elemicin- exhibited favourable pharmacokinetic properties.•Five targets, HMOX1, CNR1, STAT3, HDAC2, and MAOB were found to be important in the network of 3300 proteins based on degree centrality and betweenness centrality.•Among the seven phytoconstituents, glycyrrhisoflavone exhibited good dock scores and free energy value. Based on this, the stability of glycyrrhisoflavone with the five selected targets were analyzed using molecular dynamics study.
更多查看译文
关键词
Network pharmacology,Alzheimer’s disease,Phytoconstituents,Molecular Docking,Molecular Dynamics
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要