Molecular docking and two-dimensional quantitative structure-activity relationship studies of synthetic flavonoids on horseradish peroxidase compounds (I, II, and III).

For the first time, the enzymatic inhibition activity of 13 synthetic flavonoids was assessed by quantitative structure-activity relationship (QSAR) modeling and molecular docking with the three states of the enzyme horseradish peroxidase (HRP). The results show that apigenin, quercetin, kaempferol, fisetin, tricetin, and luteolin exerted a high competitive inhibition on HRP (Ki between 0.14 and 1.

Structure-activity relationships and molecular docking of thirteen synthesized flavonoids as horseradish peroxidase inhibitors.

For the first time, the structure-activity relationships of thirteen synthesized flavonoids have been investigated by evaluating their ability to modulate horseradish peroxidase (HRP) catalytic activity. Indeed, a modified spectrophotometrically method was carried out and optimized using 4-methylcatechol (4-MC) as peroxidase co-substrate. The results show that these flavonoids exhibit a great capacity to inhibit peroxidase with Ki values ranged from 0.

Chemotypes of essential oil of unripe galls of Pistacia atlantica Desf. from Algeria.

The essential oils (EOs) of unripe galls (from male and female plants) of a total number of 52 samples of Pistacia atlantica collected from different regions in Algeria were analysed by GC/MS and GC. The yields of the extraction of the EO by hydrodistillation vary from low to high values (0.08-1.

Chemical composition and antioxidant activity of the essential oil and fatty acids of the flowers of Rhanterium adpressum.

The essential oil obtained by hydrodistillation of the flowers of Rhanterium adpressum Coss. & Durieu was analyzed using GC and GC-MS. The essential oil was very rich in monoterpene compounds.

Chemical composition of the essential oil of Pituranthos scoparius.

The essential oils obtained by hydro distillation of the aerial parts of Pituranthos scoparius were collected from different regions of Algeria and gave various yields ranging from 0.6 up to 2.8% (v/w).