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Computational Exploration of Zinc Binding Groups for HDAC Inhibition
Histone deacetylases (HDACs) emerged as important drug targets in epigenetics. The most common HDAC inhibitors use hydroxamic acids as zinc binding groups despite unfavorable pharmacokinetic properties. A two-stage protocol of M05-2X calculations of a library of 48 fragments in a small model active...
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| Main Authors: | , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
2013
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3703144/ https://ncbi.nlm.nih.gov/pubmed/23586590 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jo400406g |
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