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Molecular docking and ADMET analysis of hydroxamic acids as HDAC2 inhibitors

Histone deacetylase (HDAC2) belongs to the hydrolase family and a promising target for cancers. We reported 96 hydroxamic compounds optimized using hydrogen-donors, hydrophobic and electron withdrawing groups followed by molecular docking studies. The optimized compounds show good LibDock score and...

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Detalles Bibliográficos
Autores principales: Alsawalha, Murad, Rao Bolla, Srinivasa, Kandakatla, Naresh, Srinivasadesikan, Venkatesan, Veeraraghavan, Vishnu Priya, Surapaneni, Krishna Mohan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6614126/
https://www.ncbi.nlm.nih.gov/pubmed/31312074
http://dx.doi.org/10.6026/97320630015380