Synthesis, structural confirmation, antibacterial properties and bio-informatics computational analyses of new pyrrole based on 8-hydroxyquinoline

Lakhrissi Y., Rbaa M., TÜZÜN B., Hichar A., Anouar E. H., Ounine K., ...Daha Fazla

JOURNAL OF MOLECULAR STRUCTURE, cilt.1259, 2022 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 1259
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1016/j.molstruc.2022.132683
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Anahtar Kelimeler: 8-Hydroxyquinoline, Synthesis, Antibacterial activity, Docking, POM (Petra/Osiris/Molinspiration) analyses, ANTIBIOTIC-RESISTANCE, DERIVATIVES, INHIBIT, ANALOGS, POM, DFT, IDENTIFICATION, COMPLEXES, RNA
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

This study aims to synthesize new pyrrolic compounds derivatives of 8-hydroxyquinoline, explore the structure-activity relationship and the effect of the substituents carried by the pyrrole ring on their antibacterial properties. These compounds were characterized by IR, H-1, C-13 NMR and elemental analysis. The NMR predicted chemical shifts were determined by the GIAO approach and the solvent effect was taken into account using the polarizable continuum model (PCM). The evaluation of the antibacterial activity was carried out "in vitro" against three bacterial strains namely; E. coli (ATCC35218), S. aureus (ATCC29213) and P. aeruginosa (ATCC27853) using the disk method. The results of antibacterial activity were compared with those of a standard antibiotic (Norfloxacin). The Minimum Inhibitory Concentrations (MICs) were calculated and discussed. The results of the experimental tests were supported by bioinformatics Docking, DFT and POM studies. (C) 2022 Elsevier B.V. All rights reserved.