Identification of potent HDAC 2 inhibitors using E-pharmacophore modelling, structure-based virtual screening and molecular dynamic simulation

Histone deacetylase 2 (HDAC 2) of class I HDACs plays a major role in embryonic and neural developments. However, HDAC 2 overexpression triggers cell proliferation by diverse mechanisms in cancer. Over the decades, many pan and class-specific inhibitors of HDAC were discovered. Limitations such as t...

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Detalles Bibliográficos
Autores principales: Pai, Padmini, Kumar, Avinash, Shetty, Manasa Gangadhar, Kini, Suvarna Ganesh, Krishna, Manoj Bhat, Satyamoorthy, Kapaettu, Babitha, Kampa Sundara
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2022
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9007783/
https://www.ncbi.nlm.nih.gov/pubmed/35419753
http://dx.doi.org/10.1007/s00894-022-05103-0

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