Design, synthesis and biological evaluation of pyrrolo-pyridine derivatives as HIV-1 integrase inhibitors / 国际药学研究杂志

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.

Design,synthesis and biological evaluation of pyrrolo-pyridine derivatives as HIV-1 integrase inhibitors / 国际药学研究杂志

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. Re?sults 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 rep?resentative 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.