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Guided by crystal structures of HIV-1 RT/DAPY complex,molecular modeling studies and our previous efforts,series of novel DAPY derivates were rationally designed,synthesized,and evaluated for their anti-HIV activity,in which diverse long-chain substitutions were incorported to the 5/6 position on the cetral ring of DAPYs,or a five-numbered heterocycle ring was fused to the 5/6 position of pyrimidine.