通过基于药效团的虚拟筛选和生物测定发现天然 TRPA1 激活剂。
Discovery of natural TRPA1 activators through pharmacophore-based virtual screening and a biological assay.
机构信息
Graduate School of Medicine, Kyoto University Shogoin-kawaharacho, Sakyo-ku, Kyoto 606-8507, Japan.
Suntory Global Innovation Center Limited, Suntory World Research Center, 8-1-1 Seikadai, Seika-cho, Soraku-gun, Kyoto 619-0284, Japan.
出版信息
Bioorg Med Chem Lett. 2021 Jan 1;31:127639. doi: 10.1016/j.bmcl.2020.127639. Epub 2020 Oct 29.
Transient receptor potential cation channel subfamily A member 1 (TRPA1), a member of the transient receptor potential family, detects a wide range of environmental stimuli, such as low temperature, abnormal pH, and reactive irritants. TRPA1 is of great interest as a target protein in fields related to pharmaceuticals and foods. In this study, a library of natural products was explored to identify TRPA1 activators by pharmacophore screening of known TRPA1 agonists and biological assays for agonist activity. The study identified six natural compounds as novel TRPA1 agonists. The discovery of these compounds may prove useful in elucidating the TRPA1 activation mechanism.
瞬时受体电位阳离子通道亚家族 A 成员 1（TRPA1）是瞬时受体电位家族的成员，可检测广泛的环境刺激物，如低温、异常 pH 值和刺激性物质。TRPA1 作为药物和食品相关领域的靶蛋白备受关注。在这项研究中，通过对已知 TRPA1 激动剂进行药效团筛选和激动活性的生物学测定，对天然产物文库进行了筛选，以鉴定 TRPA1 激活剂。研究发现了 6 种新型 TRPA1 激动剂。这些化合物的发现可能有助于阐明 TRPA1 激活机制。
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