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2000
Volume 12, Issue 2
  • ISSN: 2213-3372
  • E-ISSN: 2213-3380

Abstract

Background

Mono- and bis-(1,4-disubstituted-1,2,3-triazoles) were synthesized a laccase-catalyzed reaction using . This methodology offers a convenient and efficient approach to triazole synthesis under mild conditions, achieving modest to good yields. Additionally, molecular docking studies were performed using PDB IDs 2W9S (antibacterial) and 3KHM (antifungal) to evaluate biological activities. The results of drug-likeness analysis further corroborated the findings from experimental biological evaluations.

Methods

This study focuses on developing an eco-friendly method for synthesizing novel 1,2,3-triazole derivatives using a green catalyst. A co-solvent buffer and organic solvent facilitate the reaction, which performs well with various substrates, including substituted benzenes -mono & bis-(2-propynyloxy), sodium azide, and aryl halides. Laccase enzymes from are used, leveraging naturally occurring copper metals instead of external transition metals, bound through histidine, methionine, and cysteine linkages. This method represents a sustainable approach to organic transformations.

Results

New scaffolds of mono- and bis-(1,4-disubstituted-1,2,3-triazoles) were synthesized using eco-friendly green buffer solvents and laccase catalysis with aryl halides, sodium azide, and acetylene derivatives. Molecular docking studies revealed that the binding affinities of the synthesized compounds () show promising interactions with antibacterial and antifungal proteins. All others except for compounds , , , , and , meet Lipinski’s criteria, making them potential therapeutic candidates.

Conclusion

In conclusion, this methodology is valuable for developing antibacterial and antifungal agents in medicinal chemistry. Additionally, microwave-assisted synthesis of (2-propenyloxy)benzene derivatives significantly reduced reaction times from hours to minutes. The approach is environmentally friendly and practical, particularly for handling flammable organic azides and hazardous solvents, making it both efficient and safer.

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2025-12-18

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Laccase-Catalyzed Cycloaddition (LaCCA) Reaction: An Efficient Green Approach for Synthesizing Mono- and Bis-(1,4-Disubstituted-1,2,3-Triazoles) via Click Chemistry—In Silico Molecular Docking and Druglikeness Assessment
Curr. Organocatal. 12, 133 (2025); https://doi.org/10.2174/0122133372350903241209101511
/content/journals/cocat/10.2174/0122133372350903241209101511
/content/journals/cocat/10.2174/0122133372350903241209101511
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  • Article Type:     Research Article
Keyword(s): Aqueous solvents; druglikeness; green chemistry; laccase enzyme catalysis; molecular docking; triazoles

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