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设计并合成一系列新型八氢吡咯[3,2-c]吡啶衍生物作为趋化因子受体(CCR5)抑制剂,并测试其抗人免疫缺陷病毒(HIV-1)生物活性.大多数化合物显示了抗HIV-1活性,其中,八氢吡咯[3,2-c]吡啶衍生物19c活性最好(IC50<1μmol·L-1).但在研究其药物作用机理时发现,该化合物除作用于CCR5外,还可作用于其他抗HIV-1靶标.另外,利用计算机模拟、分子对接方法,对该系列化合物进行了初步的构效关系讨论.
A series of novel octahydropyrrolo [3,2-c] pyridine derivatives were designed and synthesized as inhibitors of chemokine receptor (CCR5) and tested for their biological activity against human immunodeficiency virus (HIV-1) .Most of compounds The anti-HIV-1 activity was shown in the study. Among them, the activity of 19α was the best (IC50 <1μmol·L-1) Acting on CCR5, but also on other anti-HIV-1 targets.In addition, a preliminary structure-activity relationship of this series of compounds was discussed by using computer simulation and molecular docking methods.