5 research outputs found
New rubrolide analogues as inhibitors of photosynthesis light reactions
Natural products called rubrolides have been investigated as a model for the development of new herbi-
cides that act on the photosynthesis apparatus. This study comprises a comprehensive analysis of the
photosynthesis inhibitory ability of 27 new structurally diverse rubrolide analogues. In general, the
results revealed that the compounds exhibited efficient inhibition of the photosynthetic process, but in
some cases low water solubility may be a limiting factor. To elucidate their mode of action, the effects
of the compounds on PSII and PSI, as well as their partial reaction on chloroplasts and the chlorophyll
a fluorescence transients were measured. Our results showed that some of the most active rubrolide ana-
logues act as a Hill reaction inhibitors at the QB level by interacting with the D1 protein at the reducing
side of PSII. All of the active analogues follow Tice’s rule of 5, which indicates that these compounds pre-
sent physicochemical properties suitable for herbicides
Theoretical investigation on the molecular inclusion process of prilocaine into p-sulfonic acid calix[6]arene
The present letter reports, for the first time, results from a theoretical analysis of the inclusion process involving the prilocaine into the p-sulfonic acid calix[6]arene. Structure and stabilization energies were calculated, in both gas and aqueous phases, using a sequential methodology based on semiempirical and Density Functional Theory (DFT) calculations. From the results, a qualitative structure property relationship could be established with some main structural features being relevant for inclusion complex stabilization: (i) the hydrogen bonds established between guest and host molecules, (ii) the dispersion effect and (iii) the inclusion mode of guest molecule into the host cavity