Based on the structure of the integrase core domain and pharmacophore perception, the authors picked out the hit quinolone derivative 1 as the lead compound via virtual screen in ACD, MDDR, NCI and Chinese Herb three-dimensional database with the aid of DOCK4.0 program and synthesized a series of analogues of compound 1. Their primary anti-HIV properties against integrase reveal that 6-position methyl group on the benzene ring of quinolone plays a more important role than chlorine, 7-position methyl group or no substituted group. But the title compounds exhibit little difference when the substituted group was phenyl or thienyl on the pyridine ring of quinoline.
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