Supplementary data for Integrated Approaches in Drug Repositioning for Lung Fibrosis Highlight Ouabain and Helenalin as Novel Drug Candidates for Pulmonary Fibrosis

Dataset

Description

For the LINCS1000  file: " transcriptomic response dataset for ouabain derived from the LINCS L1000 database. This file contains differential gene expression data showing log2 fold changes across multiple cell lines, time points, and concentrations following ouabain treatment. 

For the chemical-gene interactions: "Curated chemical-gene interaction data for ouabain extracted from the public repositories. Contains direct and indirect molecular interactions between ouabain and human genes/proteins, including interaction types.

For the code files:

Cytotoxicity preprocessing.R: "R script for preprocessing and quality control of cytotoxicity assay data ."

Cytotoxicity statistical analysis.R: "Statistical analysis script calculating dose-response relationships for cytotoxicity data."

High-Throughput PCR preprocessing.R: "Script for processing and normalizing qPCR array Ct values with quality control."

High-Throughput PCR statistical analysis.R: "Differential gene expression analysis and fold change calculations for high-throughput PCR data."

TEER preprocessing.R: "Time-series data cleaning and normalization for TEER."

TEER statistical analysis.R: "Statistical analysis of barrier function changes and time-point comparisons for TEER data."

Viability preprocessing.R: "Cell viability assay data processing ."

Viability statistical analysis.R: "Statistical analysis and dose-response modeling for cell viability data."

heatmap.py: "Python script for generating heatmaps to visualize molecular docking scores."

stat-code.py: "Fisher's exact test implementation for identifying over-represented genes."
Date made available14 Sept 2025
PublisherZenodo

Funding

FundersFunder number
European Research Council101043848
European Commission101137742

    Field of science, Statistics Finland

    • 3111 Biomedicine

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