Instituto de Medicina Molecular João Lobo Antunes, Faculdade de Medicina, Universidade de Lisboa, Av. Prof. Egas Moniz, 1649-028, Lisboa, Portugal.
Chem Commun (Camb). 2019 May 30;55(45):6369-6372. doi: 10.1039/c9cc03116b.
By coalescing bespoke machine learning and bioinformatics analyses with cell-based assays, we unveil the pharmacology of celastrol. Celastrol is a direct modulator of the progesterone and cannabinoid receptors, and its effects correlate with the antiproliferative activity. We demonstrate how in silico methods may drive systems biology studies for natural products.
通过将定制的机器学习和生物信息学分析与基于细胞的测定相结合，我们揭示了雷公藤红素的药理学。雷公藤红素是孕激素和大麻素受体的直接调节剂，其作用与抗增殖活性相关。我们展示了计算方法如何为天然产物的系统生物学研究提供驱动力。
