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Computational Insight into Indole Derivatives as Dual Antifungal and Antibacterial Agent: Docking Studies on Key Cellular Target

  • Unique Paper ID: 166147
  • Volume: 11
  • Issue: 2
  • PageNo: 1766-1771
  • Abstract:
  • Due to their various biological activity, indole derivatives have garnered great attention as possible dual medicines against bacterial and fungal diseases. In this work, we used computational docking methods to explore the binding relationships between indole derivatives and important cellular targets in bacteria and fungus. Indoles are organic molecules found in nature that include an aromatic heterocyclic structure. They are extensively utilized in the production of medicinal products. Software tools like Auto Dock and Glide were used to perform molecular docking simulations using crystal structures of crucial enzymes and receptors involved in protein synthesis pathways, DNA replication, and cell wall construction. Antibacterial drugs are primarily developed through empirical screening programs, similar to the "golden age" of research. However, antimicrobial resistance is increasing, necessitating the design and synthesis of unique molecules to combat this global threat. Our findings demonstrate the potential mechanisms of action and promising binding affinities of indole derivatives against targets such as bacterial DNA gyrase and fungal lanosterol 14α-demethylase. The insights from computation
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Cite This Article

  • ISSN: 2349-6002
  • Volume: 11
  • Issue: 2
  • PageNo: 1766-1771

Computational Insight into Indole Derivatives as Dual Antifungal and Antibacterial Agent: Docking Studies on Key Cellular Target

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8.01 (Year 2024)
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Journal no 47859

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