Design,synthesis and biological evaluation of small molecular polyphenols as entry inhibitors against H5N1 |
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| Affiliation: | 1. Department of Pharmacy, Renmin Hospital of Wuhan University, Wuhan 430060, China;2. The College of Life Sciences, State Key Laboratory of Virology, Modern Virology Research Center, Wuhan University, Wuhan 430072, China;3. Wuhan University School of Pharmaceutical Sciences, Wuhan 430071, China;4. School of Pharmaceutical Sciences, Hunan University of Chinese Medicine, Changsha 410208, China;1. Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China;2. Department of Physics and Materials Science and Centre for Functional Photonics (CFP), City University of Hong Kong, Hong Kong Special Administrative Region, China;3. Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China;4. Beijing Computational Science Research Center, Beijing 100084, China;1. The Medical and Scientific Research Center, Guangxi Medical University, Nanning 530021, China;2. Research Center for Regenerative Medicine, Guangxi Medical University, Nanning 530021, China;3. School of Chemistry and Chemical Engineering, Guangxi University, Nanning, Guangxi 530004, China;4. Guangxi Key Laboratory of Traditional Chinese Medicine Quality Standards, Guangxi Institute of Traditional Medical and Pharmaceutical Sciences, Nanning 530022, China;1. Jena University Hospital, Department of Virology and Antiviral Therapy, Hans-Knoell-Strasse 2, 07745 Jena, Germany;2. Department of Chemistry and Chemical Biology, TU Dortmund University, Otto-Hahn-Str. 6, 44227 Dortmund, Germany;3. Center for Bioinformatics, University of Hamburg, Bundesstrasse 43, 20146 Hamburg, Germany;4. Department of Pharmaceutical Chemistry, Pharmaceutical Institute, Christian-Albrechts University of Kiel, Gutenbergstrasse 76, 24118 Kiel, Germany;1. College of Chemistry and Chemical Engineering, Anhui University and Key Laboratory of Functional Inorganic Materials Chemistry of Anhui Province, 230601 Hefei, PR China;2. Department of Applied Chemistry, School of Science, Anhui Agricultural University, Hefei 230036, PR China;3. Center of Modern Experimental Technology, Anhui University, Hefei 230039, PR China |
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| Abstract: | To find novel compounds against H5N1, three series of known or novel small molecular polyphenols were synthesized and tested in vitro for anti-H5N1 activity. In addition, the preliminary structure–antiviral activity relationships were elaborated. The results showed that some small molecular polyphenols had better anti-H5N1 activity, and could serve as novel virus entry inhibitors against H5N1, likely targeting to HA2 protein. Noticeably, compound 4a showed the strongest activity against H5N1 among these compounds, and the molecular modeling analysis also suggested that this compound might target to HA2 protein. Therefore, compound 4a is well qualified to serve as a lead compound or scaffold for the further development of H5N1 entry inhibitor. |
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| Keywords: | Synthesis Small molecular polyphenols Entry inhibitor HA2 Molecular modeling |
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