Design,synthesis, biological evaluation,and molecular docking of novel flavones as H3R inhibitors |
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| Authors: | Gang Wen Qian Liu Huabin Hu Dongmei Wang Song Wu |
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| Affiliation: | State Key Laboratory of Bioactive Substances and Functions of Natural Medicines & Ministry of Health Key Laboratory of Biosynthesis of Natural Products, Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing, China |
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| Abstract: | 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. |
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| Keywords: | crystal structure flavone H3R inhibitor homology modeling molecular docking |
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