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N -ribosylation and N -mannosylation compounds have a great role in compounds activity as anticancer. The reaction of 2-thioxo-4-thiazolidinone (rhodanine) derivatives, as aglycon part, was done with ribofuranose and mannopyranose sugars (glycone part) followed by deacetylation without cleavage of the rhodanine under acidic medium. Conformational analysis has been studied using NMR methods (2D, DQF-COSY, HMQC and HMBC). All final the new deprotected nucleosides were screened against leukemia 1210, and were found to be considerably less potent (Ic50% 1.4–10.6 μM) than doxorubicin (Ic50% 0.02 μM). Compounds 10d and 10e which contain ribose moiety have better activity than those with mannose sugar. DFT calculations with B3LYP/6-31 + G (d) level were used to analyze the electronic and geometric characteristics deduced from the stable structure of the compounds. The principal quantum chemical descriptors showed a good correlation with the experimental observations. Rapid Overlay Comparison Similarity (ROCS) study was operated to explain the compounds similarity and to figure out the most important pharmacophoric features. Image 1 • Ribosylation and mannosylation of poly functionalized thiazolidinone thione derivatives by ribosyl and mannosyl moieties. • The N -ribosylated and N -mannosylated structures, and not that of the S -ribosylated and S -mannosylated isomers, have been selected for the products. • The structures of all compounds were confirmed by microanalysis, spectroscopic data (IR, 1H NMR and 13C NMR). • All the new deprotected nucleosides were screened against leukemia 1210, and were found to be considerably less potent (Ic50% 1.4–10.6 μM) than doxorubicin (Ic50% 0.02 μM). • The compounds contain ribose moiety have better activity than those with mannose sugar. • DFT calculations with B3LYP/6-31 + G (d) level were used to analyze the electronic and geometric characteristics deduced from the stable structure of the compounds. • The principal quantum chemical descriptors showed a good correlation with the experimental observations. • Molecular modelling study using Rapid Overlay Comparison Similarity (ROCS) was operated to explain the compounds similarity and figure out the most important pharmacophoric features. [ABSTRACT FROM AUTHOR]

Star-shaped macromolecules decorated with fluorescence moieties such as pyrene and anthracene have been developed, which exhibit aggregation enhanced excimer emission (AEEE). The presented star-shaped macromolecules showed only weak emissions in the visible region in dilute solution, due to the predominance of the monomer emission, which has its maximum in the UV-A region of the spectrum. However, the strong blue visible excimer-like emission is generated in the aggregated state, by the use of poorly solubilizing solvents or high concentration. The solution of these macromolecules emitted blue light centred at 475 and 474 nm with pyrene and anthracene moieties respectively. In addition, emission efficiency increases were observed with increasing water fraction. The unique phenomenon of AEEE was verified by determining the excimer-monomer emission intensities ratio (I E /I M ). TEM was used to detect the difference between the aggregation states in various THF/water ratios. The molecular structures of the fluorescent star were investigated using (MMFF). [ABSTRACT FROM AUTHOR]