Effect of Terpenes from Poria Cocos: Verifying Modes of Action against Alzheimer's disease Using Molecular Docking, Drug-induced Transcriptomes and Diffusion Network

Abstract

Poria cocos is used to treat various diseases because of its unique terpenes. However, no study verifying its modes of action using only its compounds based on in silico experiments has been conducted. Here, molecular docking and drug-induced transcriptome analyses were performed to confirm the modes of action of Poria cocos. Additionally, a diffusion network analysis method was proposed to confirm its modes of action against Alzheimers. First, Poria cocos terpenes were collected from standard databases for molecular docking. They were then used for large-scale molecular docking using druggable proteomes, and the modes of action of lanostane and seco-lanostane, unique to Poria cocos, were confirmed. Additionally, the brain cell line was treated with Poria cocos to produce Poria cocos-induced transcriptome data, and the transcriptome-based modes of action of Poria cocos were confirmed. Finally, a diffusion network was constructed using Alzheimers, which acts on both modes of action, and submodules of Alzheimers with which terpenes interact were identified. It was confirmed that Poria cocos acts on the Wnt signaling pathway, Zn-to-anterograde axonal transport, autophagy impairment, insulin and AGE-RAGE signaling pathways, and apoptosis mechanisms. This study identified the modes of action of Poria cocos using biological data and in silico methods.