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- Title
Identification of Nor-β-Lapachone Derivatives as Potential Antibacterial Compounds against Enterococcus faecalis Clinical Strain.
- Authors
Lourenço, André L.; Abreu, Paula A.; Leal, Bruno; da Silva Júnior, Eufrânio N.; Pinto, Antonio V.; Pinto, Maria do; Souza, Alessandra M.; Novais, Juliana S.; Paiva, Marcela B.; Cabral, Lucio M.; Rodrigues, Carlos R.; Ferreira, Vitor F.; Castro, Helena C.
- Abstract
broad-spectrum antibiotic therapy has led to medical complications and emergence of multiresistant bacteria including Enterococcus faecalis. In this study, we designed, synthesized, and evaluated the antibacterial activity of 13 nor-β-lapachone derivatives against a drug resistant E. faecalis strain. Two triazole substituted compounds (1e = 8 μg/ml and 1c = 16 μg/ml) and the non-substituted derivative (1a = 8 μg/ml) were promising compared to chloramphenicol (12 μg/ml), an antibiotic currently available in the market. We also performed a structure-activity relationship analysis using a molecular modeling approach that pointed the low HOMO energy values; HOMO density concentrated on the nor-β-lapachone ring, lipophilicity, solubility and number HBA as important stereoelectronic features for the antibacterial profile. In addition the triazole compounds presented low theoretical toxicity profile, and drug-score higher than commercial antibiotics also fulfilling the Lipinski 'Rule of Five', which pointed them as promising candidates for further studies in infections caused by multiresistant E. faecalis hospital strains.
- Subjects
RESEARCH; ANTIBIOTICS; ENTEROCOCCUS faecalis; TRIAZOLES; BACTERIA; THERAPEUTICS
- Publication
Current Microbiology, 2011, Vol 62, Issue 2, p684
- ISSN
0343-8651
- Publication type
Article
- DOI
10.1007/s00284-010-9763-6