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Objective To design and synthesze novel pyrrolopyridine as integrase inhibitors. Method The launched anti-HIV drug raltegravir was selected as template compounds. According to the concept of bioisosterism and molecular docking, a series of pyrrolopyridine compounds (6a-6t) were designed, synthesized and their anti-integrase 3’-processing activity were analyzed. Results The designed compounds were successfully synthesized and the structures of these compounds were confirmed by 1H NMR, 13C NMR and ESI-HRMS. The anti-IN 3’-P activity of these compounds were also measured. The binding mode and docking energy of representative compounds were analyzed. Conclusion The structure-activity relationships of these compounds were also analyzed by the results of docking. These results lay the foundation for the further optimization of these compounds. © 2016, Editorial office of Journal of International Pharmaceutical Research. All rights reserved.
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