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Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II

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Abstract

Carbonic anhydrase II (CA II) is an important enzyme complex with Zn2+, which is involved in many physiological and pathological processes, such as calcification, glaucoma and tumorigenicity. In order to search for novel inhibitors of CA II, inhibition assay of carbonic anhydrase II was performed, by which seven natural phenolic compounds, including four phenolics (grifolin, 4-O-methyl-grifolic acid, grifolic acid, and isovanillic acid) and three flavones (eriodictyol, quercetin and puerin A), showed inhibitory activities against CA II with IC50s in the range of 6.37–71.73 μmol/L. Grifolic acid is the most active one with IC50 of 6.37 μmol/L. These seven phenolic compounds were proved to be novel natural carbonic anhydrase II inhibitors, which were obtained in flexible docking study with GOLD 3.0 software. Results indicated that the aliphatic chain and polar groups of hydroxyl and carboxyl are important to their inhibitory activities, providing a new insight into study on CA II potent inhibitors.

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Authors and Affiliations

  1. State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, 650204, China

    HuoQiang Huang, XuLin Pan, ChangJiu Ji, GuangZhi Zeng, LiHua Jiang, Xiang Fu, JiKai Liu, XiaoJiang Hao, YingJun Zhang & NingHua Tan

  2. Graduate University of the Chinese Academy of Sciences, Beijing, 100049, China

    HuoQiang Huang & ChangJiu Ji

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  1. HuoQiang Huang
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  2. XuLin Pan
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Correspondence to NingHua Tan.

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Supported by the National Natural Science Foundation of China (Grant No. 30725048) and the Foundation of Chinese Academy of Sciences (West Light Program).

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Huang, H., Pan, X., Ji, C. et al. Screening and docking studies of natural phenolic inhibitors of carbonic anhydrase II. Sci. China Ser. B-Chem. 52, 332–337 (2009). https://doi.org/10.1007/s11426-008-0133-1

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  • DOI: https://doi.org/10.1007/s11426-008-0133-1

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