鞣花酸
山奈酚
对接(动物)
蚁群优化算法
计算机科学
计算生物学
化学
生物系统
人工智能
生物
多酚
生物化学
类黄酮
护理部
抗氧化剂
医学
作者
Xuming Chen,Xiaochun Shi,Xiaohong Li
出处
期刊:Heliyon
[Elsevier BV]
日期:2023-11-01
卷期号:9 (11): e21826-e21826
被引量:5
标识
DOI:10.1016/j.heliyon.2023.e21826
摘要
-rutinoside, the chief active components of raspberry, are considered the quality control indices of raspberry. This work employed the ant colony neural network (ACO-BPNN) to optimize their extraction processes, and the combination of network pharmacology and molecular docking technology to unveil the potential pharmacological effects of these components. Based on the single-factor test (ultrasonic time, ethanol concentration, ultrasonic temperature, and solid-liquid ratio), a factorial experiment with 4-factors and 3-levels was conducted in parallel for 3 times. The multi-factor analysis of variance results revealed high-order interactions among the factors. Then, the ACO-BPNN model was established to characterize the complex relationship of experimental data. After further verification, relative errors were all less than 8 %, implying the model's effectiveness and reliability. Moreover, with the network pharmacology, 66 key targets were screened out and mainly concentrated in PI3K-AKT, MAPK, and Ras signal pathways. Molecular docking revealed the binding sites between active components and key targets.
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