Classical and fragment-based hologram structure-activity relationships for a series of analgesic cyclic imides
Contribuinte(s) |
UNIVERSIDADE DE SÃO PAULO |
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Data(s) |
20/10/2012
20/10/2012
2008
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Resumo |
Cyclic imides have been widely employed in drug design research due to their multiple pharmacological and biological properties. In the present study, two-dimensional quantitative structure-activity relationship (2D QSAR) studies were conducted on a series of potent analgesic cyclic imides using both classical and hologram QSAR (HQSAR) methods, yielding significant statistical models (classical QSAR, q(2) = 0.80; HQSAR, q(2) = 0.84). The models were then used to evaluate an external data test, and the predicted values were in good agreement with the experimental results, indicating their consistency for untested compounds. |
Identificador |
LETTERS IN DRUG DESIGN & DISCOVERY, v.5, n.1, p.57-64, 2008 1570-1808 |
Idioma(s) |
eng |
Publicador |
BENTHAM SCIENCE PUBL LTD |
Relação |
Letters in Drug Design & Discovery |
Direitos |
restrictedAccess Copyright BENTHAM SCIENCE PUBL LTD |
Palavras-Chave | #imides #analgesics #drug design #2D QSAR #HQSAR #PURINE NUCLEOSIDE PHOSPHORYLASE #X RECEPTOR ACTIVATORS #INHIBITORS #QSAR #3,4-DICHLOROMALEIMIDES #DERIVATIVES #BINDING #Chemistry, Medicinal |
Tipo |
article original article publishedVersion |