Expanding potential targets of herbal chemicals by node2vec based on herb-drug interactions.

ABSTRACT:

Background

The identification of chemical-target interaction is key to pharmaceutical research and development, but the unclear materials basis and complex mechanisms of traditional medicine (TM) make it difficult, especially for low-content chemicals which are hard to test in experiments. In this research, we aim to apply the node2vec algorithm in the context of drug-herb interactions for expanding potential targets and taking advantage of molecular docking and experiments for verification.

Methods

Regarding the widely reported risks between cardiovascular drugs and herbs, Salvia miltiorrhiza (Danshen, DS) and Ligusticum chuanxiong (Chuanxiong, CX), which are widely used in the treatment of cardiovascular disease (CVD), and approved drugs for CVD form the new dataset as an

SUBMITTER: Zhang DY 

PROVIDER: S-EPMC10233865 | biostudies-literature | 2023 Jun

REPOSITORIES: biostudies-literature