Key Laboratory of Bio-resources and Eco-environment of the Ministry of Education, College of Life Sciences, Sichuan University, Chengdu 610064, China.
Molecules. 2019 Apr 11;24(7):1445. doi: 10.3390/molecules24071445.
The EGCG, an important component of polyphenol in green tea, is well known due to its numerous health benefits. We employed the reverse docking method for the identification of the putative targets of EGCG in the anti-tumor target protein database and these targets were further uploaded to public databases in order to understand the underlying pharmacological mechanisms and search for novel EGCG-associated targets. Similarly, the pharmacological linkage between tumor-related proteins and EGCG was manually constructed in order to provide greater insight into the molecular mechanisms through a systematic integration with applicable bioinformatics. The results indicated that the anti-tumor mechanisms of EGCG may involve 12 signaling transduction pathways and 33 vital target proteins. Moreover, we also discovered four novel putative target proteins of EGCG, including IKBKB, KRAS, WEE1 and NTRK1, which are significantly related to tumorigenesis. In conclusion, this work may provide a useful perspective that will improve our understanding of the pharmacological mechanism of EGCG and identify novel potential therapeutic targets.
EGCG，一种绿茶中多酚的重要成分，由于其众多的健康益处而广为人知。我们采用反向对接方法在抗肿瘤靶蛋白数据库中鉴定 EGCG 的可能靶标，并将这些靶标进一步上传到公共数据库，以了解潜在的药理学机制并寻找新的与 EGCG 相关的靶标。同样，我们也在肿瘤相关蛋白和 EGCG 之间构建了药理学联系，以便通过与适用的生物信息学的系统整合，提供对分子机制的更深入了解。结果表明，EGCG 的抗肿瘤机制可能涉及 12 个信号转导通路和 33 个重要靶标蛋白。此外，我们还发现了 EGCG 的四个新的可能靶标蛋白，包括 IKBKB、KRAS、WEE1 和 NTRK1，它们与肿瘤发生有显著关系。总之，这项工作可能提供一个有用的视角，有助于我们理解 EGCG 的药理学机制，并确定新的潜在治疗靶标。
