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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...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7225394/ https://www.ncbi.nlm.nih.gov/pubmed/32426531 http://dx.doi.org/10.1016/j.heliyon.2020.e03517 |