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Abstract <p>A sustainable green protocol has been developed for the metal-free sonochemical synthesis of 2-aryl-1<i>H</i>-benzimidazoles through the condensation of <i>o</i>-phenylenediamine and diverse aromatic aldehydes using L-aspartic acid as a novel recyclable organocatalyst. This methodology overcomes the shortcomings of utilizing harmful metal catalysts, resulting in eco-friendly protocol and mild reaction conditions with high atom efficiency. The molecular docking studies with DNA gyrase subunit B revealed strong binding interactions with a highest binding energy of –115.867 kcal/mol. The ADME properties of the synthesized compounds revealed their drug-likeness. The compounds displayed good to excellent antimicrobial activity.</p>

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Metal-Free Sonochemical Synthesis, In Silico Molecular Docking, and ADME Profiling of 2-Aryl-1H-benzimidazoles as Promising Antimicrobial Agents

  • 期刊论文

  • 发表日期：

    2025年12月1日

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  • K. Saravate,
  • N. Kulkarni,
  • M. Kulkarni

摘要

Abstract

A sustainable green protocol has been developed for the metal-free sonochemical synthesis of 2-aryl-1H-benzimidazoles through the condensation of o-phenylenediamine and diverse aromatic aldehydes using L-aspartic acid as a novel recyclable organocatalyst. This methodology overcomes the shortcomings of utilizing harmful metal catalysts, resulting in eco-friendly protocol and mild reaction conditions with high atom efficiency. The molecular docking studies with DNA gyrase subunit B revealed strong binding interactions with a highest binding energy of –115.867 kcal/mol. The ADME properties of the synthesized compounds revealed their drug-likeness. The compounds displayed good to excellent antimicrobial activity.