Demand remains for new inhibitors of HIV-1 replication and the inhibition of HIV-1 entry is an extremely attractive therapeutic approach. Using field-based bioisosteric replacements, we have further extended the chemotypes available for development in the HIV-1 entry inhibitor class. Moreover, using field-based disparity analysis of the compounds, 3D structure-activity relationships were derived that will be useful in the further development of these inhibitors towards clinical utility.
Keywords: Antiviral; Bioisosteric replacement; Computer-aided drug design; Field-based; HIV-1 envelope protein; SAR analysis; Scaffold-hopping; Structure–activity landscape.
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