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

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

卷:26

Article

Tuyishime, Marina¹  Lawrence, Rae²  Cocklin, Simon¹ 

[1] Drexel Univ, Coll Med, Dept Biochem & Mol Biol, Philadelphia, PA 19102 USA

[2] Cresset, Litlington, Cambs, England

关键词: Computer-aided drug design;    HIV-1 envelope protein;    Field-based;    Bioisosteric replacement;    Scaffold-hopping;    SAR analysis;    Structure-activity landscape;    Antiviral;   

DOI  :  10.1016/j.bmcl.2015.10.080

来源: Elsevier

【 摘 要 】

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. (C) 2015 Elsevier Ltd. All rights reserved.

【 授权许可】

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