Article detail · 2024
Developing Effective Antimicrobial Agents: Synthesis and Molecular Docking Study of Ciprofloxacin‐Benzimidazole Hybrids
- Year
- 2024
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- article
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Abstract
OpenAlex · English
Abstract In this study, we designed and synthesized some new ciprofloxacin‐benzimidazole hybrid compounds and evaluated them for their antimicrobial activity against four Gram‐positive ( B. subtilis, B. megaterium, E. faecalis and S. aureus ) and five Gram‐negative ( E. coli, E. cloacae, P. aeruginosa, S. typhimurium and Y. pseudotuberculosis ) bacteria. Most of the synthesized compounds were found to show better or equivalent activities when compared with the standard drug ciprofloxacin. Among the tested compounds, compounds 4 v and 4 w showed more or the same activities against most of the bacteria. In the light of the information obtained from this study, the results showed that the synthesized hybrid compounds could be potential antibiotic agents. Antimicrobial activities were also confirmed by molecular docking studies against active site of Staphylococcus aureus DNA gyrase. Based on docking results, the compound 4e‐protein complex having the best score was used to perform 100 ns MD simulations to analyze the dynamic behavior and stability of the complex. Furthermore, the active compounds demonstrated acceptable ranges of ADMET properties such as partition coefficients, cellular permeability, and toxicity values.
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Citations
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7 citations
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20 publications in the local catalog that cite this work (OpenAlex reference match; not the full global list).
- Design, Synthesis, and Molecular Docking of Triazole‐Coumarin Hybrids as Potent Breast Cancer Inhibitors Targeting Cell Cycle and Apoptosis 2025
- Evaluation of Antiproliferative Activity and Molecular Modeling Studies of Some Novel Benzimidazolone-Bridged Hybrid Compounds 2025
- Evaluation of Antiproliferative Activity and Molecular Modeling Studies of Some Novel Benzimidazolone-Bridged Hybrid Compounds 2025
- Evaluation of Antiproliferative Activity and Molecular Modeling Studies of Some Novel Benzimidazolone-Bridged Hybrid Compounds 2025
- Design, Synthesis, and Molecular Docking of Triazole‐Coumarin Hybrids as Potent Breast Cancer Inhibitors Targeting Cell Cycle and Apoptosis 2025
- Design, Synthesis, and Molecular Docking of Triazole‐Coumarin Hybrids as Potent Breast Cancer Inhibitors Targeting Cell Cycle and Apoptosis 2025
- Design, Synthesis, and Molecular Docking of Triazole‐Coumarin Hybrids as Potent Breast Cancer Inhibitors Targeting Cell Cycle and Apoptosis 2025
- Synthesis and Anticancer Evaluation of Some Glycine Conjugated Hybrid Compounds Containing Coumarin, Thiophene and Quinazoline Moieties 2025
- Synthesis and Anticancer Evaluation of Some Glycine Conjugated Hybrid Compounds Containing Coumarin, Thiophene and Quinazoline Moieties 2025
- Synthesis and Anticancer Evaluation of Some Glycine Conjugated Hybrid Compounds Containing Coumarin, Thiophene and Quinazoline Moieties 2025