Core chemotype diversification in the HIV-1 entry inhibitor class using field-based bioisosteric replacement. Issue 1 (1st January 2016)

• Record Type: Journal Article
• Authors: Tuyishime, Marina; Lawrence, Rae; Cocklin, Simon
• Is Part Of: Bioorganic & medicinal chemistry letters. Volume 26:Issue 1(2016)
• Page Start: 228
• Page End: 234
• Publication Date: 2016-01-01
• Subjects: Computer-aided drug design -- HIV-1 envelope protein -- Field-based -- Bioisosteric replacement -- Scaffold-hopping -- SAR analysis -- Structure–activity landscape -- Antiviral; Bioorganic chemistry -- Periodicals; Pharmaceutical chemistry -- Periodicals; 572
• DOI: 10.1016/j.bmcl.2015.10.080
• Languages: English
• ISSNs: 0960-894X

Abstract

Graphical abstract: Abstract: 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.