Raw data for EUJIM-D-26-00723 — THTL network pharmacology and experimental validation

Description

This dataset contains the raw data supporting the manuscript "Network pharmacology–based mechanistic investigation and experimental validation of Taohong Tongluo Formula in the treatment of coronary heart disease" (Manuscript No. EUJIM-D-26-00723, European Journal of Integrative Medicine). The dataset includes: 1. CCK-8 assay raw data for H9c2 cell viability (Figure 7). 2. Western blot original images for NLRP3 and GAPDH (Figure 8). 3. Network pharmacology output files, including target screening, PPI/network analysis, and molecular docking results (Figures 1–5). 4. Molecular dynamics trajectory analysis data (xvg files) for the NLRP3–luteolin complex (Figure 6). All data were generated as part of the in vitro and computational analyses described in the manuscript.

Steps to reproduce

This dataset contains raw and processed data supporting manuscript EUJIM-D-26-00723 (European Journal of Integrative Medicine). Folder structure: - 01_CCK8_raw_data/: CCK-8 assay raw data for H9c2 cell viability (Figure 7). - 02_network_pharmacology/: Target screening, PPI/network analysis, and molecular docking output files (Figures 1–5). - 03_MD_analysis/: Molecular dynamics trajectory analysis data (xvg files) for the NLRP3–luteolin complex (Figure 6). - 04_Western_blot/: Original Western blot images for NLRP3 and GAPDH (Figure 8). Detailed experimental and computational protocols are described in the associated manuscript. To reproduce the analyses, open the Excel, CSV, xvg, and image files using standard software (Microsoft Excel, text editors, or molecular visualization tools). MD xvg files can be plotted using GROMACS utilities or compatible graphing software.

Institutions

• Shanghai University of Traditional Chinese Medicine

  Shanghai, Shanghai
• Fudan University

  Shanghai, Shanghai

Categories

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