Title of article
Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-Trifluoro-4-phenyl-3-buten-2-ones
Author/Authors
Chisako Yamagami، نويسنده , , Noriko Motohashi، نويسنده , , Miki Akamatsu، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2002
Pages
5
From page
2281
To page
2285
Abstract
The inhibitory effect (IC50) of the title compounds on UV-induced mutagenesis in Escherichia coli WP2uvrA was analyzed quantitatively by using various quantum chemical descriptors and also by the CoMFA method: both approaches provided results of similar quality. The activity was shown to be increased by electron-withdrawing substituents and also by hydrogen-bonding between 2-hydroxy group and the bio-component.
Journal title
Bioorganic & Medicinal Chemistry Letters
Serial Year
2002
Journal title
Bioorganic & Medicinal Chemistry Letters
Record number
792424
Link To Document