Abstract
Flavonoids are among most common natural products that exhibit a broad spectrum of antibacterial activity. In order to decipher their antibacterial mechanisms, we used comparative genomics method to identify the targets in E. coli for 19 antibacterial flavonoids, and then validated these targets by molecular docking. Five important enzymes, namely, fumarate reductase flavoprotein, dihydroorotate dehydrogenase, dihydrofolate reductase, NADH-dependent enoyl-ACP reductase, and the DNA gyrase subunit, were identified as potential targets of 19 flavonoids. Docking results also showed that the 3-O-galloyl or 3-O-glycosides side chain at flavonoid pyrane ring are important for inhibiting these enzymes. This study not only provides important clues to understanding antibacterial mechanisms of flavonoids, but also demonstrates that comparative genomics is useful in predicting natural product targets.
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