ArticleMolecular informatics2025
Structure-Activity Relationships and Design of Focused Libraries Tailored for Staphylococcus Aureus Inhibition.
Article in Molecular informatics, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
2 citing papers in PubMed.
- Underexplored Ligand-Binding Features of FabI From Staphylococcus aureus and Escherichia coli: A Comparative Pharmacophoric Modeling and Surface Mapping Approach.ChemMedChem · 2026Article
- Structure-Activity Relationships and Design of Focused Libraries Tailored for Staphylococcus Aureus Inhibition.Molecular informatics · 2025Article
Corrections and comments
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Authors and funding
2 authors.
Funding
Abstract
Staphylococcus aureus is a bacterium classified among the ESKAPE pathogens, which are anticipated to pose a significant global health emergency in the coming decades. The FabI enzyme, present in both Gram-positive and Gram-negative bacteria, is a key enzyme involved in fatty acid synthesis II (FAS-II). In this study, we utilized transformation rules to expand the chemical space from the most potent S. aureus FabI inhibitors. Three newly generated focused libraries, named INDDS, DIADS, and PYRDS, encompassed 172,026 compounds. These compounds were ranked based on structural similarity and predicted pIC
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Registered trials
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