Issue 31, 2017

Drug design based on pentaerythritol tetranitrate reductase: synthesis and antibacterial activity of Pogostone derivatives

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.

Graphical abstract: Drug design based on pentaerythritol tetranitrate reductase: synthesis and antibacterial activity of Pogostone derivatives

Supplementary files

Article information

Article type
Paper
Submitted
13 Jun 2017
Accepted
18 Jul 2017
First published
18 Jul 2017

Org. Biomol. Chem., 2017,15, 6548-6556

Drug design based on pentaerythritol tetranitrate reductase: synthesis and antibacterial activity of Pogostone derivatives

B. Wang, W. Huang, J. Zhou, X. Tang, Y. Chen, C. Peng and B. Han, Org. Biomol. Chem., 2017, 15, 6548 DOI: 10.1039/C7OB01429E

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