Depsides and Depsidones as Inhibitors of HIV-1 Integrase: Discovery of Novel Inhibitors through 3D Database Searching
Journal of Medicinal Chemistry1997Vol. 40(6), pp. 942–951
Citations Over TimeTop 10% of 1997 papers
Nouri Neamati, Huixiao Hong, Abhijit Mazumder, Shaomeng Wang, Sanjay Sunder, Marc C. Nicklaus, G. W. A. Milne, B. Proksa, Yves Pommier
Abstract
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.
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