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

Abstract

AbstractPoria cocosis used to treat various diseases because of its unique terpenes. However, no study verifying its modes of action using only its compounds based onin silicoexperiments has been conducted. Here, molecular docking and drug-induced transcriptome analyses were performed to confirm the modes of action ofPoria cocos. Additionally, a diffusion network analysis method was proposed to confirm its modes of action against Alzheimer’s. First,Poria cocosterpenes 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 toPoria cocos, were confirmed. Additionally, the brain cell line was treated withPoria cocosto producePoria cocos-induced transcriptome data, and the transcriptome-based modes of action ofPoria cocoswere confirmed. Finally, a diffusion network was constructed using Alzheimer’s, which acts on both modes of action, and submodules of Alzheimer’s with which terpenes interact were identified. It was confirmed thatPoria cocosacts 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 ofPoria cocosusing biological data andin silicomethods.