Alkyl- and arylamidocalix[4]arene derivatives 1-11 have been designed and theoretically evaluated by docking studies as potential histone deacetylase inhibitors (HDACi). On the basis of the trimodal distribution of the calculated inhibition constants (Ki), five alkyl- or arylamido derivatives (3, 7, 8, 9, and 11) were synthesized and tested. A qualitative accordance between the experimental results and the theoretical predictions was obtained, confirming that appropriately substituted arylamidocalix[4]arenes are active HDACi.

Conformationally locked calixarene-based histone deacetylase inhibitors

CHINI, MARIA GIOVANNA;TERRACCIANO, Stefania;RICCIO, Raffaele;BIFULCO, Giuseppe;CIAO, ROBERTA;GAETA, CARMINE;TROISI, FRANCESCO;NERI, Placido
2010

Abstract

Alkyl- and arylamidocalix[4]arene derivatives 1-11 have been designed and theoretically evaluated by docking studies as potential histone deacetylase inhibitors (HDACi). On the basis of the trimodal distribution of the calculated inhibition constants (Ki), five alkyl- or arylamido derivatives (3, 7, 8, 9, and 11) were synthesized and tested. A qualitative accordance between the experimental results and the theoretical predictions was obtained, confirming that appropriately substituted arylamidocalix[4]arenes are active HDACi.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11386/3014970
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