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Open Journal of Genomics

ISSN: 2075-9061
Volume 4, 2017


Open Journal of Genomics, 2014, 3-1 [Research Article]

Identifying antibacterial targets of flavonoids by comparative genomics and molecular modeling

Zheng-Tao Xiao, Qiang Zhu, Hong-Yu Zhang*

Center for Bioinformatics, College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070, PR China

Corresponding Author & Address:

Hong-Yu Zhang*
Center for Bioinformatics, College of Life Science and Technology, Huazhong Agricultural University, Wuhan 430070, PR China; Fax: +86 27 87280877; Email: zhy630@mail.hzau.edu.cn

Article History:
Published: 17th March, 2014   Accepted: 17th March, 2014
Received: 24th June, 2013      

© Zhang et al.; licensee Ross Science Publishers

ROSS Open Access articles will be distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/3.0), which permits unrestricted use, distribution, and reproduction in any medium, provided that the original work will always be cited properly.

Keywords: antibacterial targets, comparative genomics, flavonoids, molecular modeling

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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