Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations(vol 24, pg 360, 2014)
Bioorganic & Medicinal Chemistry Letters(2014)
摘要
In an attempt to identify novel inhibitors of NAD+-dependent DNA ligase (LigA) that are not affected by a known resistance mutation, a detailed analysis of the binding sites of a variety of bacterial ligases was performed. This analysis revealed several similarities to the adenine binding region of kinases, which enabled a virtual screen of known kinase inhibitors. From this screen, a thienopyridine scaffold was identified that was shown to inhibit bacterial ligase.
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关键词
NAD+-dependent ligase,Adenosine,Thienopyridine,Resistance,Antibacterial
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