No abstract

Tetrazolo[1,5‐a]quinoline‐4‐carbaldehyde, 3‐oxo‐3‐phenylpropanenitrile, and β‐enamine were reacted in one‐pot to obtain highly functionalized quinolinyl‐1,4‐dihydropyridines. In addition to spectroscopic characterization, the structure of one of the compound is confirmed by single‐crystal X‐ray diffraction. Among all compounds evaluated for cytotoxic effect against MCF7, three quinolinyl‐1,4‐dihydropyridines (SKS13, 19, and 20) were found to be most active with half inhibition concentrations value of 7.87–9.55 μM. Molecular docking of the active molecules to various breast cancer targets revealed effective compounds have multiple receptor targeting potential in breast cancer. Our results corroborate quinolinyl‐1,4‐dihydropyridines as a valuable scaffold to develop anticancer drugs.

A series of novel pyrrole fused benzoxazinones/quinoxalinones has been evaluated for antiproliferative activity against breast cancer cell line, MCF7 and treatment-resistant triple-negative breast cancer cell line MDA-MB-231. Among which pyrroloquinoxalinones exhibited higher cytotoxicity. Furthermore, they showed insignificant cellular cytotoxicity in normal human cell HEK293T when treated with their respective IC 50 concentrations. In silico molecular docking, study suggests that the inhibitory mechanism of pyrroloquinoxalinones probably mediated via modulation of breast cancer targets such as VEGFR2 and EGFR. The stability of target protein (VEGFR2 and EGFR)ligand (pyrroloquinoxalinones) interactions was validated by Molecular dynamic simulation (50 ns). Additionally, pyrrolobenzoxazinones/quinoxalinones were evaluated for in vitro antibacterial activity against Gram-positive and Gram-negative bacterial strains. All the compounds exhibited significant antibacterial activity (IC 50 0.034-15.4 μM) towards the tested bacterial strains. These findings indicate that pyrrolobenzoxazinones/quinoxalinones are valuable scaffolds for the development of potent anticancer and antibacterial compounds.

N‐Cinnamoyl phenothiazines were synthesized and characterized by various spectroscopic techniques including vibrational, nuclear magnetic resonance and mass spectrometry. The potential applications of these compounds as antioxidants and antibacterials were evaluated. Compound 2 with –NO2 substituted cinnamoyl moiety in the phenothiazine ring nitrogen showed better antioxidant activity (77.8 μM for hydroxyl radicals and 85.0 μM for diphenyl picrylhydrazyl radicals). A moderate antibacterial activity (202‐330 μM) was observed for all the derivatives of phenothiazine against Gram‐positive and Gram‐negative bacteria, while the parent phenothiazine did not show any inhibitory activity up to 500 μM, indicating that the observed activity could be induced by the added cinnamoyl moiety. Nucleic acid and protein binding affinities were investigated for their applications as biomolecular probes. Both experimental and computational docking studies revealed an intercalative mode of binding with nucleic acids and 1:1 binding to bovine serum albumin.