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Design, synthesis, and activity of 5-cyano-2-thiacetyl aromatic pyrimidinone as DENV NS5 RdRp inhibitors
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Jing-bo WANG1, Chun-yan LI2, 3, 4, Zi-jin ZHAO1, Liu-meng YANG2, Hong-bin ZHANG1, *, Yong-tang ZHENG2, *, Yan-ping HE1, *
Acta Pharmaceutica Sinica | 2023, 58(11) : 3379 - 3388
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Acta Pharmaceutica Sinica | 2023, 58(11): 3379-3388
• Original Articles •
Design, synthesis, and activity of 5-cyano-2-thiacetyl aromatic pyrimidinone as DENV NS5 RdRp inhibitors
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Jing-bo WANG1, Chun-yan LI2, 3, 4, Zi-jin ZHAO1, Liu-meng YANG2, Hong-bin ZHANG1, *, Yong-tang ZHENG2, *, Yan-ping HE1, *
Affiliations
  • 1. Key Laboratory of Medicinal Chemistry for Natural Resource Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, China
  • 2. Key Laboratory of Animal Models and Human Disease Mechanisms of the Chinese Academy of Sciences, Kunming Institute of Zoology, Chinese Academy of Sciences, Kunming 650223, China
  • 3. College of Pharmacy, Dali University, Dali 671000, China
  • 4. School of Basic Medicine and Clinic Pharmacy, China Pharmaceutical University, Nanjing 211100, China
Published: 2023-11-12 doi: 10.16438/j.0513-4870.2023-0197
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To screen novel anti-dengue virus (DENV) NS5 RdRp enzyme inhibitors, a series of 5-cyano-2-thiacetoaryl pyrimidinone compounds were designed and synthesized by molecular hybridization method with HCV NS5B RdRp inhibitor 3jc and ZIKV NS5 RdRp inhibitor 4w as lead compounds. The anti-DENV activity of these compounds was evaluated by MTT assay and plaque assay and five compounds showed anti-DENV activity. The most active compound 7a'k showed better anti-DENV activity than that of the positive control ribavirin (EC50 = 7.86 μmol·L-1 vs EC50 = 18.07 μmol·L-1), and the other four compounds showed almost the same anti-DENV activity as ribavirin. Finally, the prediction and simulation of the binding mode through molecular provided new ideas for the further development of this new DENV NS5 RdRp inhibitor.

dengue virus NS5 RdRp inhibitor  /  synthesis  /  anti- dengue virus activity  /  molecular docking
Jing-bo WANG, Chun-yan LI, Zi-jin ZHAO, Liu-meng YANG, Hong-bin ZHANG, Yong-tang ZHENG, Yan-ping HE. Design, synthesis, and activity of 5-cyano-2-thiacetyl aromatic pyrimidinone as DENV NS5 RdRp inhibitors[J]. Acta Pharmaceutica Sinica, 2023 , 58 (11) : 3379 -3388 . DOI: 10.16438/j.0513-4870.2023-0197
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Article Info
doi: 10.16438/j.0513-4870.2023-0197
  • Receive Date：2023-02-20
  • Online Date：2025-11-21
  • Published：2023-11-12
Article Data
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History
  • Received：2023-02-20
  • Revised：2023-03-17
Funding
Affiliations
    1. Key Laboratory of Medicinal Chemistry for Natural Resource Ministry of Education, School of Chemical Science and Technology, Yunnan University, Kunming 650091, China
    2. Key Laboratory of Animal Models and Human Disease Mechanisms of the Chinese Academy of Sciences, Kunming Institute of Zoology, Chinese Academy of Sciences, Kunming 650223, China
    3. College of Pharmacy, Dali University, Dali 671000, China
    4. School of Basic Medicine and Clinic Pharmacy, China Pharmaceutical University, Nanjing 211100, China
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表12种不同金属材料的力学参数
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Number of
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Number of
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鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78
小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39
多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39
红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87
小菇属 Mycena 11 5.26
光柄菇属 Pluteus 5 2.39
红菇属 Russula 17 8.13
栓菌属 Trametes 5 2.39
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