Researchers from CIBSint-Sintmol Contribute to Studies on New Antimicrobials
The article “Investigation of antibacterial mode of action of ω-aminoalkoxylxanthones by NMR-based metabolomics and molecular docking,” published in the renowned journal Metabolomics (Springer Nature), represents a significant contribution to the field of Medicinal Chemistry. It features the collaboration of researchers from the Institute of Chemistry at UFMS (CIBSint and the Nuclear Magnetic Resonance Laboratory) and the Department of Pharmaceutical Sciences at North Dakota State University, highlighting the importance of interdisciplinary collaboration in the investigation of new antimicrobial agents.
Study Highlights
- Objective: The study aimed to understand the mechanism of action of antimicrobial compounds of the xanthone class, utilizing advanced techniques such as NMR-based metabolomics and molecular docking.
- Results:
- Twenty-one metabolic changes were identified in Staphylococcus aureus following treatment with commercial antibiotics and xanthone derivatives (ω-aminoalkoxylxanthones S6, S7, and S8).
- The compound S7 exhibited strong similarity to ciprofloxacin, a well-known antibiotic, in terms of inducing metabolic changes.
- Molecular docking revealed significant affinities of the compounds for the enzyme topoisomerase IV (the target of ciprofloxacin), highlighting their potential as inhibitors of this critical bacterial protein.
We extend our congratulations to Paola Dias de Oliveira and the co-authors, including Allana Faustino Martins, Roberto Gomes, Adilson Beatriz, Glaucia Braz Alcantara, and Ana Camila Micheletti, for their excellent work and contribution to science. This article exemplifies how research conducted at UFMS continues to expand the horizons of chemistry and the discovery of new drugs. This work not only underscores the scientific relevance of the team but also reinforces Brazil’s role in pioneering solutions to bacterial resistance.
Link to the article:
de Oliveira, P.D., Martins, A.C.F., da Silva Gomes, R. et al. Investigation of antibacterial mode of action of ω-aminoalkoxylxanthones by NMR-based metabolomics and molecular docking. Metabolomics 21, 2 (2025). https://doi.org/10.1007/s11306-024-02197-w