3D-QSAR (CoMFA, CoMSIA) and Molecular Docking Studies on Histone Deacetylase 1 Selective Inhibitors.

CONCLUSIONS: The obtained models showed a good predictive ability in both internal and external validation and could be used for designing new biaryl benzamides as potent HDAC1 inhibitors in cancer treatment. The amido and amine groups of benzamide part as scaffold and the bulk groups as a hydrophobic part were key factors to improve inhibitory activity of HDACIs. PMID: 28482791 [PubMed - as supplied by publisher]
Source: Recent Patents on Anti-Cancer Drug Discovery - Category: Cancer & Oncology Tags: Recent Pat Anticancer Drug Discov Source Type: research