Coumarin-based 1,4-disubstituted 1,2,3-triazole derivatives were synthesized using a highly efficient, ecofriendly protocol via a copper(I)-catalyzed click reaction between various substituted arylazides and terminal alkynes. The synthetic route was easy to access and gave excellent yields under microwave irradiation conditions compared to the conventional heating route. The structures of all the compounds were characterized by IR, 1 H NMR, 13 C NMR spectroscopy and mass spectrometry. All the synthesized compounds were screened for their in vitro antimicrobial, antioxidant and anti-inflammatory activities; among all compounds, 8a, 8j, 8k and 8l exhibited better results with respect to standard drugs.Furthermore, molecular docking studies have been carried out with PDB IDs 2VCX (anti-inflammatory), 3VXI (antioxidant), 4GEE (antimicrobial) and 2XFH (antifungal) using the Glide module of the Schrödinger suite. The final compounds 8d, 8e, 8h, and 8k showed the highest hydrogen bond interactions with His-88 and Val-191 proteins and with water in all the proteins.
A series of novel 2-arylquinoline-3-fused thiazolo[2,3-c]1,2,4-triazole heterocycles 9a-t were efficiently synthesized using simple conventional methods in good yields. The structure of newly synthesized molecules was characterized on the basis of their IR, 1 H NMR, 13 C NMR and mass spectral data. Among 9at, compounds 9h, 9n, 9b and 9d exhibited highly significant antiproliferative activity against two cancer cell lines C6 (nerve cells) and MCF-7 (human breast adenocarcinoma cells) when compared with standard reference Doxorubicin. In vitro antimicrobial activities of target compounds 9h, 9b, 9d, 9m and 9n were effectuated on Gram-positive Staphylococcus aurus (ATCC 25923), Bacillus subtilis (ATCC 6633) and Gram-negative strains Klebsiella Pneumonia (ATCC 31488) and Escherichia coli (ATCC 25966) strains and found to exhibit promising activity against standard Ciprofloxacin drug. Further, when in vitro antifungal activity was conducted on Aspergillus flavus and Aspergillus niger strains 9h, 9b, 9d and 9n were exhibited potent activity when compared with standard Fluconazole drug moiety.
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