基于复杂网络分析的胡桃楸黄酮类天然产物活性

以胡桃楸黄酮类天然产物为基础，探讨了多物质多靶点之间关系，进而对其活性做出预测。应用Pharm Mapper对黄酮类成分反向对接，构建胡桃楸黄酮类成分不同靶点作用网络，通过分析网络特征，揭示分子和靶点之间的关系，发现胡桃楸黄酮类有着广谱的活性。扁蓄苷（Avicularin）和阿福豆苷（Afzelin）有潜在抗肿瘤的活性；扁蓄苷（Avicularin）有潜在的抗菌活性；黄酮醇（3-Hydroxyflavone），杨梅素（Myricetin），扁蓄苷（Avicularin），阿福豆苷（Afzelin），紫云英苷（Astragalin），杨梅苷（Myricitrin）和槲皮苷（Quercitrin）有潜在的防寄生虫活性。本文为胡桃楸黄酮类天然产物的进一步开发提供了前期预测数据，具有一定的指导意义。

Complex Network Analysis of Flavonoids Activities of Juglans mandshurica

With the natural flavonoids in Juglans mandshurica, we studied the relation between multi-substances and multi-targets, and predicted their activities. We constructed the interaction network between flavonoids of J.mandshurica and different targets by PharmMapper, which reversed docking flavonoids. By analyzing the network features, we revealed the relationships between molecules and targets. The flavonoids of J.mandshurica possessed broad-spectrum bioactivities. Among them, several molecules correspond to the same kind of disease. Avicularin and Afzelin had potential antitumor activity. Avicularin had potential antibacterial activity. 3-hydroxyflavone, myricetin, avicularin, afzelin, astragalin, myricitrin and quercitrin had potential antiparasite activity. This results could forecast data to further develop the flavonoids of J.mandshurica with instructive significance.