Natural Hits Block Super‑Resistant Bacteria

A recent study tackles the growing threat of bacteria that evade most antibiotics by targeting a stubborn enzyme called GES‑5—the key to breaking down powerful carbapenem drugs.

The Search for Natural Blockers

• Scope: Scanned over 7,000 plant‑derived molecules from two distinct libraries.
• Method: Computational docking placed each compound into GES‑5’s active pocket, seeking the best fits.
• Results: Top hits achieved binding scores of –10 kcal/mol or better, indicating strong affinity.

Standout Candidates

1. Riccardin C
2. Daturametelin A
3. 2‑Hydroxysenaganolide

These molecules emerged as the most promising inhibitors.

In Silico Safety and Efficacy

• ADMET Analysis: Predicted favorable absorption, distribution, metabolism, excretion, and toxicity profiles for the majority of hits.
• Molecular Dynamics: A 100‑nanosecond simulation confirmed the stability of each enzyme–inhibitor complex, suggesting real‑world effectiveness.

Implications

The study presents several natural candidates that could restore the potency of antibiotics against resilient bacterial strains. It also offers a robust framework for future laboratory validation and drug development.