Proanthocyanidin Structure-Activity Relationship Analysis by Path Analysis Model

Author:

Li Zhaoxuan1,Liu Jingling2,You Jie1,Li Xin2ORCID,Liang Zongsuo3,Du Junli1ORCID

Affiliation:

1. College of Sciences, Northwest A&F University, Yangling 712100, China

2. College of Life Sciences, Northwest A&F University, Yangling 712100, China

3. College of Life Sciences and Medicine, Zhejiang Sci-Tech University, Hangzhou 310018, China

Abstract

To fully explore the influence mechanism of interactions between different monomer units of proanthocyanidins (PAs) on biological activity, a path analysis model of the PA structure-activity relationship was proposed. This model subdivides the total correlation between each monomer unit and activity into direct and indirect effects by taking into account not only each monomer unit but also the correlation with its related monomer units. In addition, this method can determine the action mode of each monomer unit affecting the activity by comparing the direct and total indirect effects. Finally, the advantage of this model is demonstrated through an influence mechanism analysis of Rhodiola crenulata PA monomer units on antioxidant and anti-diabetes activities.

Funder

Chinese Universities Scientific Fund

Key R&D Program in Shaanxi Province

Publisher

MDPI AG

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Spectroscopy,Molecular Biology,General Medicine,Catalysis

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