Neamati N, Hong H, Mazumder A, Wang S, Sunder S, Nicklaus M C, Milne G W, Proksa B, Pommier Y
Laboratory of Molecular Pharmacology, National Cancer Institute, Bethesda, Maryland 20892-4255, USA.
J Med Chem. 1997 Mar 14;40(6):942-51. doi: 10.1021/jm960759e.
Seventeen lichen acids comprising despides, depsidones, and their synthetic derivatives have been examined for their inhibitory activity against HIV-1 integrase, and two pharmacophores associated with inhibition of this enzyme have been identified. A search of the NCI 3D database of approximately 200,000 structures yielded some 800 compounds which contain one or the other pharmacophore. Forty-two of these compounds were assayed for HIV-1 integrase inhibition, and of these, 27 had inhibitory IC50 values of less than 100 microM; 15 were below 50 microM. Several of these compounds were also examined for their activity against HIV-2 integrase and mammalian topoisomerase I.
对17种地衣酸（包括缩酚酸、缩酚酮及其合成衍生物）进行了抗HIV-1整合酶抑制活性检测，并确定了与该酶抑制相关的两个药效基团。在约200,000个结构的美国国立癌症研究所3D数据库中进行搜索，得到了约800种含有其中一种药效基团的化合物。对其中42种化合物进行了HIV-1整合酶抑制检测，其中27种的抑制IC50值小于100微摩尔；15种低于50微摩尔。还对其中几种化合物进行了抗HIV-2整合酶和哺乳动物拓扑异构酶I活性检测。
