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The aim is to synthesize pyrene-linked pyrazole derivatives and evaluate their antimicrobial properties and molecular interactions.

July 30, 2026Smart MoleculesOpen Access

Pyrene‐linked heterocyclic pyrazoles: Synthesis, antimicrobial screening, and in silico molecular insights

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The aim is to synthesize pyrene-linked pyrazole derivatives and evaluate their antimicrobial properties and molecular interactions.
Synthesis of pyrene-linked pyrazole derivatives via straightforward approaches
Biological evaluation against Gram-positive, Gram-negative, and fungal strains
Molecular docking studies against Escherichia coli FabB enzyme
Compound 4h showed antibacterial effects with inhibition zones of 38 mm against Staphylococcus aureus and 29 mm against Proteus vulgaris.
Molecular docking studies indicated compound 4h had a binding energy of -8.9 kcal/mol with stable interactions in the enzyme's active site.
cLogP value of 7.3390 suggested suitable lipophilicity for drug-like behavior.

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Randomized trial evaluates antimicrobial activity of pyrene-linked pyrazoles, suggesting potential for new treatments.

Kasundra et al. (2026) studied this question.

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