Chemical Biology and Drug Design
Chemical Biology and Drug Design
5 years ago

Design, synthesis, biological evaluation, and molecular docking of novel flavones as H3R inhibitors

Design, synthesis, biological evaluation, and molecular docking of novel flavones as H3R inhibitors
Gang Wen, Qian Liu, Huabin Hu, Dongmei Wang, Song Wu
A series of novel flavone derivatives were designed, synthesized, and evaluated for their H3R inhibitory activity. The results showed that four compounds exhibited significant anti-H3R activity. Molecular docking experiments indicated that a salt bridge, hydrogen-bonding, and hydrophobic interactions all contributed to interactions between inhibitors and H3R. A series of novel flavone derivatives were designed, synthesized, and evaluated for their H3R inhibitory activity. To elucidate the interactions between compounds and H3R, we built a homology model of H3R and performed molecular docking studies.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1111/cbdd.12981

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