DFT-based ranking of zinc-binding groups in histone deacetylase inhibitors

Bioorganic and Medicinal Chemistry

Volumn 13, Issue 21, 2005, Pages 6070-6082

  Vanommeslaeghe, K ^a   Loverix, S ^a,b   Geerlings, P ^a   Tourwe D ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

^b DEPARTMENT OF PLANT SYSTEMS BIOLOGY   (Belgium)

Author keywords

Density functional theory; Histone deacetylase inhibition; Quantitative structure activity relationships; Zinc hydrolase

Indexed keywords

CHELATING AGENT; FUNCTIONAL GROUP; HISTONE DEACETYLASE INHIBITOR; ZINC;

ARTICLE; BINDING AFFINITY; CALCULATION; CANCER; CATALYSIS; CELL PROLIFERATION; CHELATION; DRUG BINDING; GEOMETRY; HARDNESS; HYDROPHILICITY; MOLECULAR MODEL; PKA;

EID: 84961981250     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2005.06.009     Document Type: Article

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