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NOVEL 7-AZAINDOLE DERIVATIVES AS POTENTIAL ANTIMICROBIAL AGENTS: SYNTHESIS, MOLECULAR DOCKING, AND PHARMACOKINETIC EVALUATION


Author: Nishan S. Gadara and Govind V. Vagadiya
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Abstract

The present study contributes to the field of medicinal and heterocyclic chemistry by introducing a series of structurally novel 7-azaindole derivatives with demonstrated antimicrobial potential. The integration of an efficient synthetic strategy with biological evaluation and molecular docking provides a comprehensive frameworkfor identifying promising lead compounds. Notably, the correlation observed between docking interactions and invitroantimicrobial activity offers valuable insights into structure activity relationships, which can guide the rational design of more potent analogues. From a broader perspective, this research addresses the growing challenge of antimicrobial resistance by exploring new chemical scaffolds with potential therapeutic relevance. The inclusionof pharmacokinetic (ADMET) profiling further strengthens the study by evaluating drug likeness and highlightingcompounds with favourable absorption and distribution characteristics, thereby reducing the risk of late-stage failurein drug development. The findings of this work are expected to influence future studies by encouragingtheexploration of 7-azaindole-based hybrids as viable antimicrobial agents and by demonstrating the effectiveness of combining synthetic chemistry with computational and biological approaches. Practically, the identifiedleadmolecules may serve as starting points for further optimisation and development into clinically relevant drugs. Overall, this study underscores the importance of interdisciplinary strategies in accelerating the discovery of newantimicrobial agents and contributes to ongoing efforts to combat drug-resistant microbial infections.

Keywords: 7-Azaindole, Click Chemistry, ADMET Analysis, Antimicrobial, Molecular Docking, Drug Likeness.






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