Penetratin and derivatives acting as antibacterial agents
- Garro, Adriana
- Olivella, Mónica S.
- Bombasaro, José Abel
- Lima, Beatriz Viviana
- Tapia, Aníbal Alejandro
- Feresin, Gabriela Egly
- Perczel, Andras
- Somlai, Csaba
- Penke, Botond
- López Cascales, Javier
- Rodriguez, Ana Maria
- Enriz, Ricardo Daniel
DOIAbstract
The synthesis, in vitro evaluation and conformational study of penetratin and structurally related derivatives acting as antibacterial agents are reported. Among the compounds evaluated here, two methionine sulphoxide derivatives (RQIKIWFQNRRM[O]KWKK-NH2 and RQIKIFFQNRRM[O]KFKK-NH2) exhibited the strongest antibacterial effect in this series. In order to better understand the antimicrobial activity obtained for these peptides, we performed an exhaustive conformational analysis using different approaches. Molecular dynamics simulations were performed using two different media (water and trifluoroethanol/water). The results of these theoretical calculations were corroborated using experimental CD measurements. The electronic stud...
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