Design, synthesis and molecular docking of new N-4-piperazinyl ciprofloxacin-triazole hybrids with potential antimicrobial activity

Hamada H.H. Mohammed, El Shimaa M.N. Abdelhafez, Samar H. Abbas, Gamal A.I. Moustafa, Glenn Hauk, James M. Berger, Satoshi Mitarai, Masayoshi Arai, Rehab M. Abd El-Baky, Gamal El Din A. Abuo-Rahma

Research output: Contribution to journalArticlepeer-review

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).

Original languageEnglish (US)
Article number102952
JournalBioorganic Chemistry
Volume88
DOIs
StatePublished - Jul 2019

Keywords

  • Antibacterial
  • Antifungal
  • Antimycobacterial
  • Ciprofloxacin
  • DNA cleavage assay
  • Molecular docking

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Drug Discovery
  • Organic Chemistry

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