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Drug design based on pentaerythritol tetranitrate reductase: synthesis and antibacterial activity of Pogostone derivatives.
- Source :
-
Organic & biomolecular chemistry [Org Biomol Chem] 2017 Aug 09; Vol. 15 (31), pp. 6548-6556. - Publication Year :
- 2017
-
Abstract
- Our previous work showed that Pogostone exerts antibacterial effects by targeting pentaerythritol tetranitrate reductase (PETNR). In order to develop derivatives of Pogostone with potent antibacterial activity, we performed molecular docking studies of Pogostone with PETNR and analyzed structure-activity relationships, which guided the structure design and the subsequent facile organocatalytic synthesis of Pogostone derivatives under mild reaction conditions. Several of the synthesized compounds showed antibacterial activity in vitro, including one compound (3h) that was highly effective against methicillin-resistant Staphylococcus aureus. These results suggest that Pogostone derivatives bearing functional groups on the side chain may be good leads for antibacterial drug development.
- Subjects :
- Anti-Bacterial Agents chemical synthesis
Drug Design
Escherichia coli drug effects
Escherichia coli enzymology
Escherichia coli Infections drug therapy
Humans
Methicillin-Resistant Staphylococcus aureus drug effects
Methicillin-Resistant Staphylococcus aureus enzymology
Microbial Sensitivity Tests
Molecular Docking Simulation
Oils, Volatile chemical synthesis
Oxidoreductases metabolism
Staphylococcal Infections drug therapy
Staphylococcus aureus drug effects
Staphylococcus aureus enzymology
Anti-Bacterial Agents chemistry
Anti-Bacterial Agents pharmacology
Bacteria drug effects
Bacteria enzymology
Oils, Volatile chemistry
Oils, Volatile pharmacology
Oxidoreductases antagonists & inhibitors
Subjects
Details
- Language :
- English
- ISSN :
- 1477-0539
- Volume :
- 15
- Issue :
- 31
- Database :
- MEDLINE
- Journal :
- Organic & biomolecular chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 28745773
- Full Text :
- https://doi.org/10.1039/c7ob01429e