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Cover Picture: Targeted Fluoro Positioning for the Discovery of a Potent and Highly Selective Matrix Metalloproteinase Inhibitor (ChemistryOpen 2/2017)
The Front Cover picture shows the design of the highly potent and selective inhibitor ZHAWOC5684 bound to its target protein matrix metalloproteinase‐13 (MMP‐13). The key design principle involves the structure‐based positioning of a single fluorine atom to probe water‐mediated interactions within t...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5390810/ http://dx.doi.org/10.1002/open.201700043 |
Sumario: | The Front Cover picture shows the design of the highly potent and selective inhibitor ZHAWOC5684 bound to its target protein matrix metalloproteinase‐13 (MMP‐13). The key design principle involves the structure‐based positioning of a single fluorine atom to probe water‐mediated interactions within the allosteric binding site. In combination with a zinc‐binding carboxylic acid fragment blocking the active site this approach delivers a drug‐like small molecule inhibitor of MMP‐13 with excellent microsomal and plasma stability. More information can be found in the Communication by R. Riedl and T. Fischer on page 192 in Issue 2, 2017 (DOI: 10.1002/open.201600158).[Image: see text] |
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