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Abstract <p>Thiazolidinone scaffolds exhibit diverse pharmacological activities. Based on the literature, the primary aim of the present work was to synthesize novel, potent, bioactive thiazolidinone derivatives. Herein, we report the synthesis and characterization of a new series of thiazolidinone-based compounds via the cyclocondensation of thioglycolic acid with Schiff bases. All compounds were evaluated for antimicrobial activity against Gram-positive (<i>S. aureus</i>, <i>S. pyogenes</i>) and Gram-negative (<i>E. coli</i>, <i>P. aeruginosa</i>) bacteria and fungal species (<i>C. albicans</i>, <i>A. clavatus</i>, <i>A. niger</i>) using standard drugs as references. 4-{4-[2-(4-Nitrophenyl)-4-oxothiazolidin-3-yl]phenyl}morpholin-3-one (<b>6j</b>) was identified as the most potent antimicrobial agent. The compounds were also subjected to in silico molecular docking studies with target proteins from bacteria (PDB IDs: 1JIJ, 4ROT, 1KZN, 4JVI) and fungi (PDB IDs: 5C5G, 1IYL, 1UKC) to analyze their potential inhibitory properties. The study suggests that compounds <b>6c</b> and <b>6e</b> show promising potential and, following further detailed investigations, could be beneficial for medicinal applications.</p>

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In Silico Molecular Docking and In Vitro Antibacterial and Antifungal Study of Newly Synthesized Thiazolidinone Hybrids

  • 期刊论文

  • 发表日期：

    2026年3月1日

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  • Y. J. Sanghani,
  • K. J. Jilariya

摘要

Abstract

Thiazolidinone scaffolds exhibit diverse pharmacological activities. Based on the literature, the primary aim of the present work was to synthesize novel, potent, bioactive thiazolidinone derivatives. Herein, we report the synthesis and characterization of a new series of thiazolidinone-based compounds via the cyclocondensation of thioglycolic acid with Schiff bases. All compounds were evaluated for antimicrobial activity against Gram-positive (S. aureus, S. pyogenes) and Gram-negative (E. coli, P. aeruginosa) bacteria and fungal species (C. albicans, A. clavatus, A. niger) using standard drugs as references. 4-{4-[2-(4-Nitrophenyl)-4-oxothiazolidin-3-yl]phenyl}morpholin-3-one (6j) was identified as the most potent antimicrobial agent. The compounds were also subjected to in silico molecular docking studies with target proteins from bacteria (PDB IDs: 1JIJ, 4ROT, 1KZN, 4JVI) and fungi (PDB IDs: 5C5G, 1IYL, 1UKC) to analyze their potential inhibitory properties. The study suggests that compounds 6c and 6e show promising potential and, following further detailed investigations, could be beneficial for medicinal applications.