A roadmap to unveil the mechanism(s) of natural indole-derived molecules against NAFLD-derived HCC via systems pharmacology.

ABSTRACT:

Background

Non-alcoholic fatty liver disease (NAFLD) is involved in non-alcoholic steatohepatitis (NASH), liver cirrhosis (LC), and even hepatocellular carcinoma (HCC). Hence, this study was to elucidate nuanced key mechanism(s), target(s), and Natural Indole-Derived Molecules (NIDMs) against NAFLD-derived HCC.

Methods

The NIDMs were retrieved by Natural Product Activity & Species Source Database (NPASS). The protein-protein interaction (PPI) networks, bubble plot on key signaling pathways, etiological spectrum-signaling pathways-targets-indoles (ESTI) networks, the verification of toxicity on key NIDMs, and MDE (Molecular Docking Evaluation) were performed with integrating perspective.

Results

The 141 NIDMs were identified by NPASS and SwissADME, suggesting that the

SUBMITTER: Oh KK 

PROVIDER: S-EPMC12719975 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature