Identification of 1, 4-Dihydrothieno[3′, 2′:5, 6]thiopyrano[4, 3-c]pyrazole Derivatives as Human 5-Lipo-oxygenase Inhibitors

Authors

  • Jianshu Hu,

    1. Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, China
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    • Both authors contributed equally to this work.
  • Wei Zhu,

    1. Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, China
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    • Both authors contributed equally to this work.
  • Hu Meng,

    1. Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, China
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  • Ying Liu,

    Corresponding author
    1. Beijing National Laboratory for Molecular Sciences, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering, Peking University, Beijing, China
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  • Xin Wang,

    1. Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China
    2. School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, China
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  • Chun Hu

    Corresponding author
    1. Key Laboratory of Structure-Based Drug Design & Discovery, Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China
    2. School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang, China
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Abstract

A series of novel 1,4-dihydrothieno[3′,2′:5,6]thiopyrano[4,3-c]-pyrazole-3-carboxamide derivatives were synthesized and evaluated for their inhibitory activity to human 5-lipo-oxygenase (5-LOX). Compound 7c was found to exhibit significant inhibition to human 5-LOX with IC50 value of 5.7 ± 0.9 μm. Compound 7c was further studied using molecular docking in order to delineate its structure–activity relationship and to gain insight into the design of effective 5-LOX inhibitors.

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