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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Detalles Bibliográficos
Autores principales: Singhal, Sugandha, Pathak, Mallika, Agrawala, Paban K., Ojha, Himanshu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2020
Materias:
Article
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

Internet

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

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