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Core chemotype diversification in the HIV-1 entry inhibitor class using field-based bioisosteric replacement
Journal article   Open access   Peer reviewed

Core chemotype diversification in the HIV-1 entry inhibitor class using field-based bioisosteric replacement

Marina Tuyishime, Rae Lawrence and Simon Cocklin
Bioorganic & medicinal chemistry letters, v 26(1), pp 228-234
01 Jan 2016
PMID: 26531151
url
https://europepmc.org/articles/pmc4684712View
Accepted (AM)Open Access (License Unspecified),  Open

Abstract

Antiviral Bioisosteric replacement Computer-aided drug design Field-based HIV-1 envelope protein SAR analysis Scaffold-hopping Structure–activity landscape
[Display omitted] 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.

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18 citations in Scopus

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Collaboration types
International collaboration
Web of Science research areas
Chemistry, Medicinal
Chemistry, Organic
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