AMBIENTUM BIOETHICA BIOLOGIA CHEMIA DIGITALIA DRAMATICA EDUCATIO ARTIS GYMNAST. ENGINEERING EPHEMERIDES EUROPAEA GEOGRAPHIA GEOLOGIA HISTORIA HISTORIA ARTIUM INFORMATICA IURISPRUDENTIA MATHEMATICA MUSICA NEGOTIA OECONOMICA PHILOLOGIA PHILOSOPHIA PHYSICA POLITICA PSYCHOLOGIA-PAEDAGOGIA SOCIOLOGIA THEOLOGIA CATHOLICA THEOLOGIA CATHOLICA LATIN THEOLOGIA GR.-CATH. VARAD THEOLOGIA ORTHODOXA THEOLOGIA REF. TRANSYLVAN
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STUDIA CHEMIA - Issue no. 2 / 2003 | |||||||
Article: |
MODELING BIOLOGICAL ACTIVITY OF (3-PYRIDYLMETHYL)BENZOQUINONE DERIVATIVES. Authors: CRINA V. VERES, MIHAELA CĂPRIOARĂ, CSABA L. NAGY, MIRCEA V. DIUDEA. |
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Abstract: (3-Pyridylmethyl)benzoquinone derivatives inhibit thromboxane A2 synthase and leukotriene biosynthesis enzymes. For such chemicals, a QSAR study has been performed in order to stress the relation between the molecular structures and their biological activity. The models are built up on the ground of hypermolecule concept. Partial charges, autocorrelated by a multivariate regression, are used for molecular description. The hypermolecule has the meaning of a complement of the investigated biological receptor space. A general procedure for developing and validating QSAR models is given. | |||||||