The steric properties modulating the mutagenic activity on S. typhimurium TA98 of a set of nitroaromatic compounds have been investigated using the CoMFA method. In addition to steric probe-ligand interaction energies, the overall lipophilicity and the energy of the lowest occupied molecular orbital have been employed as molecular descriptors.
Shape-dependent effects in a series of aromatic nitro compounds acting as mutagenic agents on S.typhimurium TA98 / Caliendo, Giuseppe; Fattorusso, Caterina; Greco, Giovanni; Novellino, E.; Perissutti, E.; Santagada, V.. - In: SAR AND QSAR IN ENVIRONMENTAL RESEARCH. - ISSN 1062-936X. - 4:(1995), pp. 21-27. [10.1080/10629369508234011]
Shape-dependent effects in a series of aromatic nitro compounds acting as mutagenic agents on S.typhimurium TA98.
CALIENDO, GIUSEPPE;FATTORUSSO, CATERINA;GRECO, GIOVANNI;NOVELLINO E.;PERISSUTTI E.;SANTAGADA V.
1995
Abstract
The steric properties modulating the mutagenic activity on S. typhimurium TA98 of a set of nitroaromatic compounds have been investigated using the CoMFA method. In addition to steric probe-ligand interaction energies, the overall lipophilicity and the energy of the lowest occupied molecular orbital have been employed as molecular descriptors.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
