Table 1.
The reaction and metabolite numbers of condition specific pathogen-host GMN models.
Fig 1.
The differences in reaction profiles of condition-specific pathogen-host GMNs grouped by pathways.
Pathways with at least 2 differential reactions are given. Red and green bars represent the number of HeLa cell reactions that are only active in 0th hour and 16th hour respectively. Purple and blue bars represent the number of S. Typhimurium reactions that are only active in 0th and 16th hour respectively. The pathway names are listed on the left side of figure.
Table 2.
Predicted flux rates obtained by FBA analysis of condition-specific pathogen-host integrated GMNs are compared with the experimental results.
Fig 2.
Pathway enrichment analysis result.
The values on the x axes indicates number of drug targets in the related pathway with no homology to human proteins.
Table 3.
Model-derived potential drug targets that obey three criteria: No homology to human proteins, druggable, and broad-spectrum behaviour.
Fig 3.
Histogram illustration of the overall binding energy retrieved through virtual screening.
Table 4.
Protein residues involved in the hydrogen and hydrophobic interactions with top ten best ranking compounds (ligands), analyzed through LigPlot+.
Fig 4.
The flowchart of the pipeline followed in this study.