Practical Qualitative Evaluation and Screening of Potential Biomarkers for Different Parts of Wolfiporia cocos Using Machine Learning and Network Pharmacology

Abstract

Wolfiporia cocos is a widely used traditional Chinese medicine and dietary supplement. Artificial intelligence algorithms use different types of data based on the different strategies to complete multiple tasks such as search and discrimination, which has become a trend to be suitable for solving massive data analysis problems faced in network pharmacology research. In this study, we attempted to screen the potential biomarkers in different parts of W. cocos from the perspective of measurability and effectiveness based on fingerprint, machine learning, and network pharmacology. Based on the conclusions drawn from the results, we noted the following: (1) exploratory analysis results showed that differences between different parts were greater than those between different regions, and the partial least squares discriminant analysis and residual network models were excellent to identify Poria and Poriae cutis based on Fourier transform near-infrared spectroscopy spectra; (2) from the perspective of effectiveness, the results of network pharmacology showed that 11 components such as dehydropachymic acid and 16α-hydroxydehydrotrametenolic acid, and so on had high connectivity in the "component-target-pathway" network and were the main active components. (3) From a measurability perspective, through orthogonal partial least squares discriminant analysis and the variable importance projection > 1, it was confirmed that three components, namely, dehydrotrametenolic acid, poricoic acid A, and pachymic acid, were the main potential biomarkers based on high-performance liquid chromatography. (4) The content of the three components in Poria was significantly higher than that in Poriae cutis. (5) The integrated analysis showed that dehydrotrametenolic acid, poricoic acid A, and pachymic acid were the potential biomarkers for Poria and Poriae cutis. Overall, this approach provided a novel strategy to explore potential biomarkers with an explanation for the clinical application and reasonable development and utilization in Poria and Poriae cutis.

Keywords: Macrohyporia cocos; fingerprint; machine learning; network pharmacology; potential biomarkers.