1533448-33-7Relevant academic research and scientific papers
Discovery of novel diarylpyrimidines as potent HIV NNRTIs via a structure-guided core-refining approach
Li, Xiao,Chen, Wenmin,Tian, Ye,Liu, Huiqing,Zhan, Peng,De Clercq, Erik,Pannecouque, Christophe,Jan, Balzarini,Liu, Xinyong
, p. 112 - 121 (2014/05/20)
Guided by crystal structures of HIV-1 RT/DAPY complex and molecular modeling studies, a series of novel DAPY derivatives were rationally designed, synthesized and evaluated for their anti-HIV activities. Among them, 16 compounds significantly inhibited HIV-1 IIIB replication with EC values lower than 66 nM. Particularly, compound 7a was the most potent inhibitor against HIV-1 wild-type and double RT mutant HIV-1 strain K103N/Y181C, with an EC value of 2.5 nM (SI = 13,740) and 0.33 μM (SI = 107), respectively. Unexpectedly, compound 8c was found to show moderate anti-HIV-2 potency (EC = 5.57 μM). Preliminary structure-activity relationships (SARs) and molecular modeling of these new analogues were also discussed in detail.
