Integrative Genomic and in Silico Analysis Reveals Mitochondrially Encoded Cytochrome C Oxidase III (MT-CO3) Overexpression and Potential Neem-Derived Inhibitors in Breast Cancer.

ABSTRACT:

Background

The increasing global incidence of breast cancer calls for the identification of new therapeutic targets and the assessment of possible neem-derived inhibitors by means of computational modeling and integrated genomic research.

Methods

Originally looking at 59,424 genes throughout 42 samples, we investigated gene expression data from The Cancer Genome Atlas-Breast Cancer (TCGA-BRCA) dataset. We chose 286 genes for thorough investigation following strict screening for consistent expression. R's limma package was used in differential expression analysis. The leading candidate's protein modeling was done with Swiss-ADME and Discovery Studio. Molecular docking studies, including 132 neem compounds, were conducted utilizing AutoDock Vina.

Results

Among the 286 e

SUBMITTER: Agboola OE 

PROVIDER: S-EPMC12111084 | biostudies-literature | 2025 Apr

REPOSITORIES: biostudies-literature