A structure-based virtual screening protocol was used to predict Mycobacterium tuberculosis shikimate kinase (MtSk) inhibitors. Docking simulations were performed using eHiTS software and 644 drug-like compounds were identified as potential inhibitors. Forty-two percent of such inhibitors had a structural relationship to a triazole or a tetrazole heteroaromatic system which may provide a candid...

The synthesis, characterization, and photophysical properties of two novel ligands, 5LINMe-1,2-HOPO (1) and H(2,2)-1,2-HOPO (2), which utilize the 1,2-HOPO chelate as a sensitizer for Eu(III) are reported. In addition, the former ligand was structurally characterized as the Eu(III) complex by X-ray crystallography. The [Eu(1)2]- complex of the tetradentate ligand (1) is stable in aqueous soluti...

The title compound, C(13)H(14)OS, crystallizes with two independent mol-ecules in the asymmetric unit. The unit cell contains three voids of 197 Å(3), but the residual electron density (highest peak = 0.24 e Å(-3) and deepest hole = -0.18 e Å(-3)) in the difference Fourier map suggests no solvent mol-ecule occupies this void. The crystal structure is stabilized by π-π inter-actions between the ...

The novel compound 2-(1H-imidazol-2-yl)-2,3-dihydro-1H-perimidine was obtained in very good yield via a known eco-friendly protocol. product isolated pure form as solvate by simple filtration from the crude mixture. Its structure assigned 1D and 2D NMR experiments confirmed high resolution MS single crystal XRD. temperature of methanol release determined DSC energy process theoretically estimat...