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Synthesis and Antimicrobial Activity of imidazo [4,5-b] indole Derivatives

Author: Bhumika Ranawat, Renu Rathore, Ritu Tomar and Mangal Shree Dulawat

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Abstract

A series of imidazo[4,5-b] indole derivatives 3(a-o) were synthesized. The in vitro antimalarial activity of the synthesized compounds against different antimicrobial strains was assessed. Both in silico ADMET prediction and molecular docking investigations were conducted. The two most potent compounds in the series were identified 3i, and 3k with respective values of E. coli Dihydrorootase complex and GyrB of S. aureus. At the binding site, molecular dynamics simulations were run on the most active molecules, 3c, and 3h for 2EG7 PDB, and3e, and 3g for 5D6P PDB

Keywords

Synthesis, antimicrobial activity, imidazo[4,5-b]indole, molecular docking

Conclusion

This study presents the synthesis, docking, ADMET, and antibacterial activity analysis of a new series of derivatives. All of the substances demonstrate strong antimalarial activity in laboratory tests, with some approaching the effectiveness of Ciprofloxacin, Fluconazole, and Streptomycin. The compounds with the given title were evaluated for their interaction with two distinct binding sites. Compounds 3c, 3e, and 3h were identified as the most powerful compounds based on docking experiments. Compounds 3i and 3k are considered the most promising compounds according to the in silico and in vitro results. The two most potent compounds in the series were identified 3i, and 3k with respective values of E. coli Dihydrorootase complex and GyrB of S. aureus. This series of compounds offers lead-like compounds for research and demonstrates good binding affinity with different modeled proteins. As a result, the current work promotes the development of fresh antimicrobial agents by pharmacophore hybridization

References

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How to cite this article

Bhumika Ranawat, Renu Rathore, Ritu Tomar and Mangal Shree Dulawat (2023). Characterization and GC-MS Profiling of Volatile Compounds in an Anti-Ophidic Formulation from Haryana. Biological Forum – An International Journal, 15(5a): 757-766