English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

A combined experimental and theoretical study of a newly synthesized cycloadduct of spirooxindole based thiochromene scaffold  via  [3 + 2] cycloaddition (32CA) reaction approach has been performed. The final adducts occurred  via  reaction of azomethine ylide (AY) with the ethylene derivative  via ortho/endo  32CA protocol in respective regio- and diastereoselective fashion. In the light of the importance of intermolecular interactions in the crystal stability, Hirshfeld calculations were employed to predict all possible contacts affecting the molecular packing in the solid state of the studied systems. The results shed the light on the importance of O…H, F…H and H…C interactions as well as the π-π stacking interactions on the molecular packing. DFT calculations were used to compute the minimum energy structures and predict their electronic properties such as dipole moment, charge population and conceptual DFT reactivity descriptors. The  1 H- and  13 C-NMR spectra of the studied systems were calculated and the resulting chemical shifts correlated very well with the experimental data (R 2 = 0.991-0.978). The anti-cancer activity of the synthesized spirooxindole based thiochromene motif was assessed and showed IC 50  of 8.34 ± 0.64, 11.25 ± 0.28, 16.0 ± 0.7, and 25.3 ± 0.25  µ M against the four cancer cell lines MCF-7, MDA-MB231, PC3, and HeLa, respectively.

polycyclic aromatic compounds

Synthesis and anti-Cancer Activity of a New Hybrid Based Spirooxindole-Pyrrolidine -Thiochromene Scaffolds  via  [3 + 2] Cycloaddition Reaction: Computational Investigation