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Design and in silico screening of aryl allyl mercaptan analogs as potential histone deacetylases (HDAC) inhibitors
The Zn(+2) HDACIs show promising anticancer activity. Allyl mercaptan (AM), a metastabilzed monomeric form of diallyl disulphide (DADS) shows better HDACI activity. The present work screens a dataset of aryl AM derivatives 1(a-g) for potential HDACI action viain silico models. DFT calculations predi...
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| Veröffentlicht in: | Heliyon |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
Elsevier
2020
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7225394/ https://ncbi.nlm.nih.gov/pubmed/32426531 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2020.e03517 |
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