Glyphosate Interaction with eEF1α1 Indicates Altered Protein Synthesis: Evidence for Reduced Spermatogenesis and Cytostatic Effect.

The broad-spectrum herbicide, glyphosate, is considered safe for animals because it selectively affects the shikimate pathway that is specific to plants and microorganisms. We sought a previously unknown mechanism to explain the concerns that glyphosate exposure can negatively affect animals, including humans. Computer modeling showed a probable interaction between glyphosate and eukaryotic translation elongation factor 1 subunit alpha 1 (eEF1α1), which was confirmed by microcalorimetry.

Identification of Eukaryotic Translation Elongation Factor 1-α 1 Gamendazole-Binding Site for Binding of 3-Hydroxy-4(1 H)-quinolinones as Novel Ligands with Anticancer Activity.

Here, we have identified the interaction site of the contraceptive drug gamendazole using computational modeling. The drug was previously described as a ligand for eukaryotic translation elongation factor 1-α 1 (eEF1A1) and found to be a potential target site for derivatives of 2-phenyl-3-hydroxy-4(1 H)-quinolinones (3-HQs), which exhibit anticancer activity. The interaction of this class of derivatives of 3-HQs with eEF1A1 inside cancer cells was confirmed via pull-down assay.

Computer modelling reveals new conformers of the ATP binding loop of Na/K-ATPase involved in the transphosphorylation process of the sodium pump.

Hydrolysis of ATP by Na/K-ATPase, a P-Type ATPase, catalyzing active Na and K transport through cellular membranes leads transiently to a phosphorylation of its catalytical -subunit. Surprisingly, three-dimensional molecular structure analysis of P-type ATPases reveals that binding of ATP to the N-domain connected by a hinge to the P-domain is much too far away from the Asp to allow the transfer of ATP's terminal phosphate to its aspartyl-phosphorylation site. In order to get information for how the transfer of the -phosphate group of ATP to the Asp is achieved, analogous molecular modeling of the M-M loop of ATPase was performed using the crystal data of Na/K-ATPase of different species.

Non-Catalyzed Click Reactions of ADIBO Derivatives with 5-Methyluridine Azides and Conformational Study of the Resulting Triazoles.

Copper-free click reactions between a dibenzoazocine derivative and azides derived from 5-methyluridine were investigated. The non-catalyzed reaction yielded both regioisomers in an approximately equivalent ratio. The NMR spectra of each regioisomer revealed conformational isomery.

Suitability of ionic liquids as mobile-phase additives in HPLC with fluorescence and UV detection for the determination of heterocyclic aromatic amines.

The effects of several ionic liquids (ILs) as mobile-phase additives in HPLC with fluorescence and UV-Vis detection for the determination of six heterocyclic aromatic amines were evaluated using two different C(18) stationary phases with moderate silanol activity. The studied ILs were 1-butyl-3-methylimidazolium tetrafluoroborate, 1-hexyl-3-methylimidazolium tetrafluoroborate and 1-methyl-3-octylimidazolium tetrafluoroborate. The optical behaviour of heterocyclic aromatic amines in presence of ILs was studied and the silanol-suppressing potency of ILs was evaluated for the two stationary phases studied.