Synthesis, in vitro biological evaluation and molecular docking study of coumarin-1,4-dihydropyridine derivatives as potent anti-inflammatory agents


Shastri, Lokesh ; Madar, Jyoti M; Shastri, Samundeeswari L; Holiyachi, Megharaja ; Naik, Nirmala S; Gudimani, Parashuram ; Pawar, Varsha ; Shettar, Arun K; Joshi, Shrinivas D; Sungar, Vinay A


The green chemistry approach provides for the synthesis of coumarin-1,4-dihydropyridine scaffolds 6a-o via sequential multicomponent reaction using catalytic amount of triethylamine (TEA). These new coumarin scaffolds have been successfully explored for the effective inflammatory as well as microbial infection inhibitors. The antimicrobial activity results of the title compounds have shown potent activity against both gram positive and gram negative bacterial, and fungal stains. Additionally, anti-inflammatory activity of all the compounds has been found to be quite promising in comparison with standard Diclofenac sodium. Furthermore, the in silico docking study has been performed for all the compounds with S. aureus DNA gyrase and cyclooxygenase-2 (PDB ID 4PH9). The computational results are in good agreement with the in vitro antibacterial and anti-inflammatory experimental results.



Coumarin-1,4-dihydropyridine, antimicrobial activity, anti-inflammatory activity, molecular docking study, green protocol

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