Synthesis and Molecular Modeling Studies of Coumarin‐ and 1‐Aza‐Coumarin‐Linked Miconazole Analogues and Their Antifungal Activity

A series of new coumarin and 1‐aza coumarin analogues of miconazole ( 6 a‐j ) were synthesized from 3‐bromoacetyl coumarins. Further diversification was achieved by synthesizing coumarin‐benzimidazole hybrids of miconazole ( 7 a‐j ) and evaluated for in‐vitro anti‐microbial activities. Amongst the tested compounds, 7 d was found to be particularly effective as anti‐fungal agents against C. albicans and C. krusei, with activity comparable to that of the standard. Comparative Docking studies with mevalonate‐5‐diphosphatedecarboxylase shows better binding affinity than imidazole counterparts which is primarily attributed to extended π‐alkyl interactions facilitated by benzimidazole.