期刊
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
卷 19, 期 21, 页码 6087-6091出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.bmcl.2009.09.029
关键词
Protein-protein interactions; gp120-CD4 interactions; Phe43 cavity; Structure-based drug design; Pharmacophore modeling
资金
- European Union THINC [HEALTH-2007-2.3.2-1]
- Spanish Ministerio de Ciencia e Innovacion [BFU2006-00966]
- FIS [PI060624]
- Asinex Ltd
A dynamic target-based pharmacophoric model mapping the CD4 binding site on HIV-1 gp120 was built and used to identify new hits able to inhibit gp120-CD4 protein-protein interactions. Two compounds showed micromolar inhibition of HIV-1 replication in cells attributable to an interference with the entry step of infection, by direct interaction with gp120. Inactivity of compounds toward a M475I strain suggested specific contacts with the Phe43 cavity of gp120. (C) 2009 Elsevier Ltd. All rights reserved.
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