Skip to content

ahmedn12/proteomics-lcms-pipeline

Repository files navigation

Proteomics LC-MS/MS Pipeline

Neutrophil Elastase-Induced Macrophage Surface Proteome Analysis

Overview

End-to-end quantitative proteomics pipeline in Python, reproducing the analytical workflow from Ahmed et al., IJMS 2024 (DOI: 10.3390/ijms252313038). Analyzes label-free quantification (LFQ) data from Orbitrap Fusion Lumos to identify differentially expressed surface proteins in NE-treated human macrophages.

Pipeline Steps

  • LFQ data simulation (500 proteins, 6 samples, realistic missing values)
  • MinProb missing value imputation + median normalization
  • PCA for sample clustering QC
  • Differential expression: Welch's t-test + Benjamini-Hochberg FDR correction
  • Volcano plot with protein labeling
  • Hierarchical heatmap (Z-scored, top 40 DE proteins)
  • Functional pathway annotation
  • Interactive Plotly dashboard

Results

Results

Proteomics Pipeline

Tools

Python · pandas · numpy · scipy · scikit-learn · seaborn · matplotlib · plotly · statsmodels

Related Publication

Ahmed NT et al. Int J Mol Sci. 2024;25(23):13038.
https://doi.org/10.3390/ijms252313038

Author

Nadia Tasnim Ahmed, PhD
Pharmaceutical Data Scientist | LC-MS · PBPK · CMC

Releases

Packages

Contributors

Languages