Green Synthesis of Novel Triazolothiadiazine-Coumarins Catalyzed by Agro Waste Extract: An Approach towards In-Silico and In-Vitro Anti-Fungal Activity

A green, commodious, immensely versatile synthetic route for agro waste extract WELPSA catalyzed cyclocondensation of biologically active triazolothiadiazine-coumarin hybrid derivatives has been studied. A proficient synthesis offused heterocycles 9 i-wvia dehydrative condensation with cyclization of4-((4-amino-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-2-aryl-2,4-dihydro-3H-1,2,4-triazol-3-one (5 a--c) and substituted bromoacyl coumarins (8 d--h)has been incorporated in presence of different catalysts including WELPSA, a green catalyst. The in silico docking studies of these previously unknown compounds revealed favorable C score and Chemscore values and the in vitro antifungal assay against three fungal strains showed excellent to good activity.

Automated summary

A green synthetic route for the synthesis of biologically active hybrid derivatives has been studied. The synthesized compounds showed excellent antifungal activity.