The article describes the use of facile one-pot, high-yielding reactions to synthesize\nsubstituted 3,4-dimethyl-1H-pyrrole-2-carboxamides 3aââ?¬â??m and carbohydrazide analogues 5aââ?¬â??l as\npotential antifungal and antimicrobial agents. The structural identity and purity of the synthesized\ncompounds were assigned based on appropriate spectroscopic techniques. Synthesized compounds\nwere assessed in vitro for antifungal and antibacterial activity. The compounds 5h, 5i and 5j\nwere found to be the most potent against Aspergillus fumigatus, with MIC values of 0.039 mg/mL.\nThe compound 5f bearing a 2, 6-dichloro group on the phenyl ring was found to be the most active\nbroad spectrum antibacterial agent with a MIC value of 0.039 mg/mL. The mode of action of the most\npromising antifungal compounds (one representative from each series; 3j and 5h) was established by\ntheir molecular docking with the active site of sterol 14Ã?±-demethylase. Molecular docking studies\nrevealed a highly spontaneous binding ability of the tested compounds in the access channel away\nfrom catalytic heme iron of the enzyme, which suggested that the tested compounds inhibit this\nenzyme and would avoid heme iron-related deleterious side effects observed with many existing\nantifungal compounds.
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