Design, synthesis, antitumor activity and theoretical calculation of novel PI3Ka inhibitors
作者： Ru-Yi Jin , Tian Tang , Sha Zhou , Xu Long , Hui Guo
DOI: 10.1016/J.BIOORG.2020.103737
关键词:
摘要: Abstract PI3Kα has been identified as an ideal target to treat with PIK3CA gene mutation disease, including drugs such Alpelisib and Copanlisib. Five purine analogues four thiazole were designed synthesized. Their enzymatic activity against PI3Ka/β/γ/δ tested, respectively. All compounds showed excellent selectivity in modulating PI3Ka activity, parts of the good inhibition. Meanwhile, we used Autodock 4.2 explore binding mode most potential compound Tg protein. In addition, DFT was calculate HOMO-LUMO maps Tf, positive control. This paper will provide some useful information for further drug design inhibitors.
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