@article{0a239077980b4d559df84252ee95834a,
title = "Design, synthesis and molecular docking of new N-4-piperazinyl ciprofloxacin-triazole hybrids with potential antimicrobial activity",
abstract = "New N-4-piperazinyl ciprofloxacin-triazole hybrids 6a-o were prepared and characterized. The in vitro antimycobacterial activity revealed that compound 6a experienced promising antimycobacterial activity against Mycobactrium smegmatis compared with the reference isoniazide (INH). Additionally, compound 6a exhibited broad spectrum antibacterial activity against all the tested strains either Gram-positive or Gram-negative bacteria compared with the reference ciprofloxacin. Also, compounds 6g and 6i displayed considerable antifungal activity compared with the reference ketoconazole. DNA cleavage assay of the highly active compounds 6c and 6h showed a good correlation between the Mycobactrium cleaved DNA gyrase assay and their in vitro antimycobactrial activity. Moreover, molecular modeling studies were done for the designed ciprofloxacin derivatives to predict their binding modes towards Topoisomerase II enzyme (PDB: 5bs8).",
keywords = "Antibacterial, Antifungal, Antimycobacterial, Ciprofloxacin, DNA cleavage assay, Molecular docking",
author = "Mohammed, {Hamada H.H.} and Abdelhafez, {El Shimaa M.N.} and Abbas, {Samar H.} and Moustafa, {Gamal A.I.} and Glenn Hauk and Berger, {James M.} and Satoshi Mitarai and Masayoshi Arai and {Abd El-Baky}, {Rehab M.} and Abuo-Rahma, {Gamal El Din A.}",
note = "Funding Information: The authors gratefully acknowledge Dr. Safwat Rabea, (Faculty of Pharmaceutical Sciences, The University of British Columbia , Canada), for measuring the high-resolution mass spectra for the newly synthesized compounds. Also, the authors are much indebted to Dr. Ahmed S. Aboraia (Department of pharmaceutical chemistry, Faculty of Pharmacy, Assuit University ) for his assist regarding docking studies. The biochemical analysis of gyrase and the synthesized inhibitors was supported by the NCI ( R01-CA077373 , to J.M.B.). Funding Information: The authors gratefully acknowledge Dr. Safwat Rabea, (Faculty of Pharmaceutical Sciences, The University of British Columbia, Canada), for measuring the high-resolution mass spectra for the newly synthesized compounds. Also, the authors are much indebted to Dr. Ahmed S. Aboraia (Department of pharmaceutical chemistry, Faculty of Pharmacy, Assuit University)for his assist regarding docking studies. The biochemical analysis of gyrase and the synthesized inhibitors was supported by the NCI (R01-CA077373, to J.M.B.). Publisher Copyright: {\textcopyright} 2019 Elsevier Inc.",
year = "2019",
month = jul,
doi = "10.1016/j.bioorg.2019.102952",
language = "English (US)",
volume = "88",
journal = "Bioorganic Chemistry",
issn = "0045-2068",
publisher = "Academic Press Inc.",
}