Design and synthesis of hybrids of diarylpyrimidines and diketo acids as HIV-1 inhibitors
Design and synthesis of hybrids of diarylpyrimidines and diketo acids as HIV-1 inhibitors
复制标题
作为 HIV-1 抑制剂的二芳基嘧啶和二酮酸杂化物的设计和合成
DOI：
10.1016/j.bmcl.2017.03.009
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发表时间：
2017-04-15
影响因子：
2.7
通讯作者：
Gu, Shuang-Xi
中科院分区：
文献类型：
--
作者：
Xue, Ping;Lu, Huan-Huan;Gu, Shuang-Xi
Based on the strategy of molecular hybridization, dilceto acid fragment as a classical phamacophore of integrase inhibitors was introduced to reverse transcriptase inhibitors diarylpyrimidines to design a series of diarylpyrimidine-diketo acid hybrids (DAPY-DICAs). The target molecules 10b and 11b showed inhibitory activities against WT HIV-1 with EC50 values of 0.18 mu M and 0.14 mu M, respectively. And the results of molecular docking demonstrated the potential binding mode and revealed that the DKA moiety and its ester could both be tolerated in the nonnucleoside binding site (NNBS) of HIV-1 RT. (C) 2017 Elsevier Ltd. All rights reserved.
