An integrated approach based on FDA adverse event reporting system, network pharmacology, molecular docking, and molecular dynamics simulation analysis to study the cardiac adverse reactions and mechanism of action of osimertinib.

ABSTRACT:

Objectives

This study investigates osimertinib-induced cardiac adverse reactions (CAR) using real-world FDA Adverse Event Reporting System (FAERS) data and explores molecular mechanisms via network pharmacology, molecular docking, and dynamics simulations.

Methods

We analyzed osimertinib-related adverse events from Q4 2015 to Q4 2024 using FAERS data, applying reporting odds ratio (ROR) and Bayesian confidence propagation neural network (BCPNN) methods. Potential CAR targets were identified via PharmMapper, Swiss Target Prediction, and GeneCards. Protein-protein interaction (PPI) networks, gene ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analyses, molecular docking, and dynamics simulations were performed.

Results

Among 15,382 reports, 274 we

SUBMITTER: Wang W 

PROVIDER: S-EPMC12183265 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature