Chloroform extract of the aerial parts ofEupatorium adenophorum Spreng was fractionated and examined for growth inhibition. Bioassay-directed fractions of the plant materials afforded three known cadinenes and β-sitosterol. The effects of different fractions as well as isolated cadinenes were determined usingAllium cepa, Raphanus sativus, andCucumis sativus seeds. Three-day exposure to these cadinenes significantly inhibited germination and seedling growth of all three assay seeds. The degree of inhibition was dependent upon seed species and the concentrations of the compounds tested. Cadinene(1) was found to be more inhibitory to the seeds tested and the activity of the cadinene(3) was less than that of(1) and(4).
The d in the structural label indicates that the compound bears a deuterium substituent, Z = D. For the sake of clarity; the absolute configurations of these labeled species have been assigned without any consideration of the deuterium atom. Therefore, the structural labels for the deuterated and the corresponding protiated compounds differ only in the presence or absence of d following the number for that structure. Although the compounds bearing deuterium are mixtures of diastereomers, no evidence has been observed which indicates a diastereomeric composition which is not equal to 1:1. (20) J.
Density functional theory calculations have been performed to determine structure and reactivity of two of the most commonly used antitubercular drug molecules, isoniazid and pyrazinamide. Having found good agreement with the available experimental data for these two compounds, we extended DFT calculation to predict the properties of 2-methylheptylisonicotinate which is a novel natural analogue of isoniazid. The chemical reactivity of these compounds was compared using density functional-based descriptors such as global softness, global electrophilicity, Fukui function, and philicity. The experimental better reactivity of 2-methylheptylisonicotinate with respect to the well-known antituberculosis drug molecule, isoniazid has been successfully established.
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