Synthesis, biological evaluation, network pharmacology, and molecular docking of benzophenone as antitumor agents
作者:Beidou Zhou、Xuemei Liao、Shuyi Liu、Guiqing Gao、Yanting Gao、Wanting Gan、Jialing Ke、Yuxin Wu、Feifei Wang、Baocheng Huang、Wanjing Yang、Renping Ye、Yihui Liu、Yicong Lin
DOI:10.1016/j.molstruc.2024.138467
日期:2024.4
Eaton's reagent or boron trifluoride ether, 24 compounds were synthesized in a 1- or 2-step reaction, with the conversion of the methoxy group to the hydroxyl group. Next, the antitumor activity of all compounds and the antioxidant activity of compounds to were investigated. Compounds , and exhibited strong antitumor activity and were considered promising compounds. Among them, compounds , and exhibited
使用 Eaton 试剂或三氟化硼醚,通过 1 步或 2 步反应合成 24 种化合物,其中甲氧基转化为羟基。接下来,研究了所有化合物的抗肿瘤活性和化合物的抗氧化活性。化合物 、 和 表现出很强的抗肿瘤活性,被认为是有前途的化合物。其中,化合物 、 和 对HL-60细胞表现出很强的抑制活性,IC值分别为0.55、0.29和0.72 μM。此外,化合物表现出中等的抗氧化活性,其作用机制通过计算化学得到进一步验证。最后通过网络药理学和分子对接对上述8个化合物的抗肿瘤机制进行了研究,获得19个关键基因和20条通路。这些结果将有助于二苯甲酮及其衍生物的未来发展。