Organo NHC catalyzed aqueous synthesis of 4β-isoxazole-podophyllotoxins: anticancer, caspase activation, tubulin polymerization inhibition and molecular docking studies.

We present, for the first time, the organo--heterocyclic carbene (NHC) catalyzed 1,3-dipolar cycloaddition of 4β--propargyl podophyllotoxin (1) with aromatic nitrile oxides to afford regioselective 4β-isoxazolepodophyllotoxin hybrids (6a-n) in benign aqueous-organic media. Preliminary anticancer activity results showed that compound 6e displayed superior activity against MCF-7, HeLa and MIA PaCa2 human cell lines compared with podophyllotoxin. Compounds 6j and 6n showed greater activity against the MCF-7 cell line than the positive control.

Design, synthesis, in silico molecular docking, and ADMET studies of quinoxaline-isoxazole-piperazine conjugates as EGFR-targeting agents.

In this paper, we report the synthesis of quinoxaline-isoxazole-piperazine conjugates. The anticancer activity was evaluated against three human cancer cell lines, including MCF-7 (breast), HepG-2 (liver), and HCT-116 (colorectal). The outcomes of the tested compounds 5d, 5e, and 5f have shown more potent activity when compared to the standard drug erlotinib.

Study of the β-oxygen effect in the Barton-McCombie reaction for the total synthesis of (4,5)-4-hydroxy-γ-decalactone (Japanese orange fly lactone): a carbohydrate based approach.

Efficient and facile synthesis of Japanese orange fly lactone (1) was achieved from a commercially available d-glucose by investigating the Barton-McCombie reaction with furanose anomeric isomers ( , ) with an overall yield of 12.6%. During the course of this synthesis, the β-oxygen effect was discovered in the deoxygenation step at the C-3 position using the Barton-McCombie reaction, where the substrate allows the effect to operate in one of the isomers but not in the other.

Design, Synthesis, and Molecular Docking Studies of Some New Quinoxaline Derivatives as EGFR Targeting Agents.

Unlabelled: The synthesis of some new quinoxaline derivatives (-) and their structure determination using H NMR, C NMR and mass spectral analysis was described herein. The in vitro anti-cancer activity of the these compounds () revealed that the compound1-((1-(4-bromophenyl)-1-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-]quinoxalin-4-yl)pyrazolidine-3,5-dione () has shown promising activity, whereas, compounds 1-((1-phenyl-1-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-]quinoxalin-4-yl)pyrazolidine-3,5-dione (), 1-(tetrazolo[1,5-]quinoxalin-4-yl)-2-((1-(-tolyl)-1-1,2,3-triazol-4-yl)methyl)pyrazolidine-3,5-dione (), 1-((1-(3,5-dimethoxyphenyl)-1-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-]quinoxalin-4-yl)pyrazolidine-3,5-dione () and 1-((1-(4-nitrophenyl)-1-1,2,3-triazol-4-yl)methyl)-2-(tetrazolo[1,5-]quinoxalin-4-yl)pyrazolidine-3,5-dione () exhibited good to moderate activity against four human cancer cell lines such as HeLa, MCF-7, HEK 293T, and A549 as compared to the doxorubicin. Predominantly, the compound displayed excellent activity over HeLa, MCF-7, HEK 293T, and A549 with IC values of 3.

Fused benzo[1,3]thiazine-1,2,3-triazole hybrids: Microwave-assisted one-pot synthesis, in vitro antibacterial, antibiofilm, and in silico ADME studies.

In this paper, we report an efficient one-pot three-component reaction sequences comprising Cu(I)-catalyzed 1,3-dipolar cycloaddition (CuAAC) followed by Cu-catalyzed arylation of resulting 1,2,3-triazole in the presence of ionic liquid [Emim]BF under microwave conditions involving. The newly synthesized derivatives were screened for in vitro antibacterial inhibition potency against both gram +ve and gram -ve strains. Among the tested compounds, 4f exhibited significant inhibition activity with MIC value 3.