Chemo-enzymatic cascade processes are invaluable due to their ability to rapidly construct high-value products from available feedstock chemicals in a one-pot relay manner. In an article, author is Aziz, Hamid, once mentioned the application of 5232-99-5, Name is Ethyl 2-cyano-3,3-diphenylacrylate, molecular formula is C18H15NO2, molecular weight is 277.32, MDL number is MFCD00027364, category is Triazoles. Now introduce a scientific discovery about this category, Safety of Ethyl 2-cyano-3,3-diphenylacrylate.
Synthesis, characterization, in vitro biological and computational evaluation of 5-benzyl-4-(benzylideneamino)-2H-1,2,4-triazole-3(4H)-thiones
Triazoles and their heterocyclic analogues are nitrogen-rich versatile pharmacophores easily synthesized and converted to a range of biologically relevant heterocycles. In this context, the present research reports the synthesis, characterization, in vitro antioxidant, cytotoxic and alpha-glucosidase inhibitory potential of 4-amino-5-benzyl-2H-1,2,4-triazol-3(4H)-thione (3) and 5-benzyl-4-(benzylideneamino)-2H-1,2,4-triazole-3(4H)-thiones 5(a-g). Consequently, the percent DPPH free radical scavenging ability was found to be in the decreasing order of 5 g > 5e > 3 > 5d > 5b > 5c > 5a > 5f. The most potent derivatives (5 g), (5e) and (3) showed significant dose-dependent scavenging ability with IC50 values of 61.22, 74.06 and 94.87 mu g/ml, respectively. The antioxidant derivatives were screened in brine shrimp lethality as well as protein kinase inhibitory assay to unveil their toxic nature. The percent mortality was found to be decreasing in the order of 5b > 5f > 3 > 5a > 5 g > 5d > 5e > 5c at 200 mu g/ml in brine shrimp lethality assay. Accordingly, three derivatives (5b), (3) and (5f) showed significant percent mortality with LC50 values of 25.88, 32.94 and 34.87 mu g/ml, respectively. Similarly, in protein kinase inhibitory assay, maximum inhibitory potential was observed for the derivatives (5 g), (3) and (5e) with MIC values of 50 mu g/disc in each case. Likewise, in alpha-glucosidase inhibition assay, the screened derivatives (3) and (5e) showed notable percent alpha-glucosidase inhibition (66.78 and 55.15%) with IC50 value of 36.11 mu g/ml and 60.33 mu g/ml, respectively. Molecular docking studies of the screened derivatives were performed in order to assess their binding potential and mechanism of their binding with alpha-glucosidase, alpha-kinase and beta-kinase enzymes. Docking simulation revealed that the molecules stabilize themselves inside the active site by establishing non-covalent interactions with critical residues. Noteworthy were the derivatives (3) and (5e) which anchored themselves through various significant electrostatic interactions with the critical residues. [GRAPHICS] .
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