【作者】 石雅玮； 刘振明； 金宏威； 张亮仁； 张礼和；

【机构】 北京大学药学院天然药物及仿生药物国家重点实验室；

【摘要】 <正>~~更多还原

【Abstract】 HIV-1 integrase played an important role in the replication of virus,it had thus emerged as an attractive target for anti-HIV therapy.The derivatives of diketone acid are one of the most promising compounds in the development of anti-HIV-1 intergrase drugs.In this study,the quantitative structure and activity relationships of a series of HIV-1 integrase inhibitors of DKAs were investigated by GFA and MFA models and then validated by F-test and predictive-ability test.The r~2 pred of these two models reached 0.978 and 0.801 respectively,which demonstrated that the models had perfect predictive ability.Furthermore pharmocophore analysis was used to confh-m the models and found the importance of hydrophobic interactions.The findings in this research will give some guidance for designing novel effective HIV-1 integrase inhibitors.更多还原