|
Abstract
|
Epithelial ovarian cancer (EOC) remains one of the deadliest gynecologic malignancies,
largely due to late diagnosis and treatment resistance. The main objective of this study is to
identify and validate CDK1 as a high-confidence therapeutic target in EOC and to assess the
dual-target inhibitory potential of the natural compound Naringin against both CDK1 and
its regulator WEE1. This study employed an integrative pipeline combining transcriptomic
profiling, protein–protein interaction network analysis, machine learning, and molecular
simulations to identify key oncogenic regulators in EOC. CDK1 emerged as a central hub
gene, exhibiting strong association with poor prognosis and signaling convergence. CDK1
overexpression correlated with adverse survival outcomes and robust involvement in
critical oncogenic pathways. Molecular docking and dynamics simulations assessed the
binding efficacy of seven compounds with CDK1 and WEE1, with Naringin showing
high-affinity binding, stable complex formation, and minimal predicted toxicity. This study
underscores the power of computational-experimental integration in accelerating oncology
drug discovery, providing visual and quantitative evidence that systematically connect the
study’s aim to its findings.
|