Effect of Poria cocos Terpenes: Verifying Modes of Action Using Molecular Docking, Drug-Induced Transcriptomes, and Diffusion Network Analyses

Author:

Park Musun1ORCID,Yi Jin-Mu2,Kim No Soo2ORCID,Lee Seo-Young3,Lee Haeseung4

Affiliation:

1. Korean Medicine (KM) Data Division, Korea Institute of Oriental Medicine, Daejeon 34054, Republic of Korea

2. KM Convergence Research Division, Korea Institute of Oriental Medicine, Daejeon 34054, Republic of Korea

3. KM Science Research Division, Korea Institute of Oriental Medicine, Daejeon 34054, Republic of Korea

4. College of Pharmacy, Pusan National University, Busan 46241, Republic of Korea

Abstract

We characterized the therapeutic biological modes of action of several terpenes in Poria cocos F.A Wolf (PC) and proposed a broad therapeutic mode of action for PC. Molecular docking and drug-induced transcriptome analysis were performed to confirm the pharmacological mechanism of PC terpene, and a new analysis method, namely diffusion network analysis, was proposed to verify the mechanism of action against Alzheimer’s disease. We confirmed that the compound that exists only in PC has a unique mechanism through statistical-based docking analysis. Also, docking and transcriptomic analysis results could reflect results in clinical practice when used complementarily. The detailed pharmacological mechanism of PC was confirmed by constructing and analyzing the Alzheimer’s disease diffusion network, and the antioxidant activity based on microglial cells was verified. In this study, we used two bioinformatics approaches to reveal PC’s broad mode of action while also using diffusion networks to identify its detailed pharmacological mechanisms of action. The results of this study provide evidence that future pharmacological mechanism analysis should simultaneously consider complementary docking and transcriptomics and suggest diffusion network analysis, a new method to derive pharmacological mechanisms based on natural complex compounds.

Funder

Korea Institute of Oriental Medicine

National Research Foundation of Korea

Publisher

MDPI AG

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