The transformation of simple hydrocarbons into more complex and valuable products via catalytic C–H bond functionalisation has revolutionised modern synthetic chemistry. An article , which mentions Computed Properties of C3H5NOS, molecular formula is C3H5NOS. The compound – Thiazolidin-2-one played an important role in people’s production and life., Computed Properties of C3H5NOS
A series of four compounds which contain thiazolidine-4-one ring were synthesized and preliminarily assessed as anti-inflammatory agents with anticipated selectivity against COX-2 enzyme. The synthesized compounds structures have been recognised according to their spectral FT-IR and 1H NMR data. GOLD software was used to perform molecular docking study. The crystallographic structure of the molecular target cyclo-oxygenase enzyme-2 (COX-2) was taken from PDB database however, the celecoxib and naproxen were selected as a positive controls. The docking results of the newly synthesized compounds shown that they can enter the substrate-binding area of the active site .The compound (Ia) showed the highest PLP fitness,while compound (Ic) appeared to have the lowest binding ability compared to celecoxib which may be due to the presence of para nitro group that deactivates the ring system. Whereas In vivo acute anti-inflammatory effects of the synthesized compounds were evaluated in rats using egg-white induced edema model of inflammation. The tested compounds and the reference drug produced significant decrease in the paw edema with respect to the effect of propylene glycol 50%v/v (control group). Compounds Ia,b,d showed potent anti-inflammatory effect than naproxen (50mg/kg, i.p.) at 180 min., while compound Ic exhibited lower anti-inflammatory effect.
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Reference：
Quinuclidine – Wikipedia,
Quinuclidine | C7H318N | ChemSpider