Synthesis, Antifungal Activities, Molecular Docking and Molecular Dynamic Studies of Novel Quinoxaline-Triazole Compounds

OSMANİYE D., Bozkurt N. B., LEVENT S., Yardimci G. B., SAĞLIK B. N., ÖZKAY Y., ...More

ACS OMEGA, no.27, pp.24573-24585, 2023 (SCI-Expanded) identifier

  • Publication Type: Article / Article
  • Publication Date: 2023
  • Doi Number: 10.1021/acsomega.3c02797
  • Journal Name: ACS OMEGA
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Directory of Open Access Journals
  • Page Numbers: pp.24573-24585
  • Anadolu University Affiliated: Yes


Uncontrolled use of antifungal drugs affects the developmentofresistance to existing drugs. Azole antifungals constitute a largepart of antifungal therapy. Therefore, there is a need for new azoleantifungals. Within the scope of this study, 17 new triazole derivativecompounds were synthesized. Structure determinations were clarifiedby spectroscopic analysis methods (H-1-NMR, C-13-NMR, HRMS). In addition, structure matching was completed usingtwo-dimensional NMR techniques, HSQC, HMBC and NOESY. The antifungaleffects of the compounds were evaluated on Candida strains by means of in vitro method. Compound 5d showed activity against Candida glabrata with a MIC90 = 2 & mu;g/mL. Compound 5d showed activity against Candida krusei with a MIC90 = 2 & mu;g/mL. This activity value, whichis higher than fluconazole, is promising. In addition, the biofilminhibition percentages of the compounds were calculated. Moleculardocking and molecular dynamics simulations performed with compound 5d are in harmony with activity studies.