Original scientific paper

Quantitative Modeling of Flavonoid Glycosides Isolated from Paliurus spina-christi Mill.

Marica Medić-Šarić ; Department of Pharmaceutical Chemistry, Faculty of Pharmacy and Biochemistry, University of Zagreb, HR-10000 Zagreb, Croatia
Željan Males ; Department of Pharmacognosy, Faculty of Pharmacy and Biochemistry, University of Zagreb, HR-10000 Zagreb, Croatia
Slavko Šarić ; Faculty of Traffic Science, University of Zagreb, HR-10000 Zagreb, Croatia
Adelheid Brantner ; Institute of Pharmacognosy, University of Graz, A-8010 Graz, Austria

Abstract

Several QSPR models for predicting the properties of flavonoid glycosides isolated from Paliurus spina-christi Mill, and of some related flavonoids were described and evaluated. Log P values for all of them were calculated according to the method of Rekker. All investigated flavonoids showed expressive hydrophobicity. Significant correlation between the partition coefficient, log P, and van der Waals volume, Vw (calculated according to the method described by Moriguchi et al.) was obtained. Topological indices used for correlation analysis include the Wiener index, W(G), valence connectivity index, £V(G), Balaban index, J{G), and information-theoretic index, 7(G). The best models were obtained with the valence connectivity index for all the flavonoids studied.

Keywords

Hrčak ID:

135994

URI

https://hrcak.srce.hr/135994

Publication date:

2.12.1996.

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