|Title||Antibacterial mechanisms identified through structural systems pharmacology.|
|Publication Type||Journal Article|
|Year of Publication||2013|
|Authors||Chang RL, Xie L, Bourne PE, Palsson BO|
|Journal||BMC Syst Biol|
BACKGROUND: The growing discipline of structural systems pharmacology is applied prospectively in this study to predict pharmacological outcomes of antibacterial compounds in Escherichia coli K12. This work builds upon previously established methods for structural prediction of ligand binding pockets on protein molecules and utilizes and expands upon the previously developed genome scale model of metabolism integrated with protein structures (GEM-PRO) for E. coli, structurally accounting for protein complexes. Carefully selected case studies are demonstrated to display the potential for this structural systems pharmacology framework in discovery and development of antibacterial compounds.
|Alternate Journal||BMC Syst Biol|
Antibacterial mechanisms identified through structural systems pharmacology.