Author:
Yabuuchi Hiroaki,Hayashi Kazuhito,Shigemoto Akihiko,Fujiwara Makiko,Nomura Yuhei,Nakashima Mayumi,Ogusu Takeshi,Mori Megumi,Tokumoto Shin-ichi,Miyai Kazuyuki
Abstract
AbstractEssential oils contain a variety of volatile metabolites, and are expected to be utilized in wide fields such as antimicrobials, insect repellents and herbicides. However, it is difficult to foresee the effect of oil combinations because hundreds of compounds can be involved in synergistic and antagonistic interactions. In this research, it was developed and evaluated a machine learning method to classify types of (synergistic/antagonistic/no) antibacterial interaction between essential oils. Graph embedding was employed to capture structural features of the interaction network from literature data, and was found to improve in silico predicting performances to classify synergistic interactions. Furthermore, in vitro antibacterial assay against a standard strain of Staphylococcus aureus revealed that four essential oil pairs (Origanum compactum—Trachyspermum ammi, Cymbopogon citratus—Thujopsis dolabrata, Cinnamomum verum—Cymbopogon citratus and Trachyspermum ammi—Zingiber officinale) exhibited synergistic interaction as predicted. These results indicate that graph embedding approach can efficiently find synergistic interactions between antibacterial essential oils.
Funder
Kayamori Foundation of Informational Science Advancement
Publisher
Springer Science and Business Media LLC