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  • Title: Rational design of 2-pyrrolinones as inhibitors of HIV-1 integrase.
    Author: Ma K, Wang P, Fu W, Wan X, Zhou L, Chu Y, Ye D.
    Journal: Bioorg Med Chem Lett; 2011 Nov 15; 21(22):6724-7. PubMed ID: 21996518.
    Abstract:
    HIV-1 integrase is an essential enzyme for viral replication and a validated target for the development of drugs against AIDS. With an aim to discover new potent inhibitors of HIV-1 integrase, we developed a pharmacophore model based on reported inhibitors embodying structural diversity. Eight compounds of 2-pyrrolinones fitting all the features of the pharmacophore query were found through the screening of an in-house database. These candidates were successfully synthesized, and three of them showed strand transfer inhibitory activity, in which, one compound showed antiviral activity. Further mapping analysis and docking studies affirmed these results.
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