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

Abstract

Uncontrolled use of antifungal drugs affects the development of resistance to existing drugs. Azole antifungals constitute a large part of antifungal therapy. Therefore, there is a need for new azole antifungals. Within the scope of this study, 17 new triazole derivative compounds were synthesized. Structure determinations were clarified by spectroscopic analysis methods ( 1 H-NMR, 13 C-NMR, HRMS). In addition, structure matching was completed using two-dimensional NMR techniques, HSQC, HMBC and NOESY. The antifungal effects of the compounds were evaluated on Candida strains by means of in vitro method. Compound 5d showed activity against Candida glabrata with a MIC 90 = 2 μg/mL. Compound 5d showed activity against Candida krusei with a MIC 90 = 2 μg/mL. This activity value, which is higher than fluconazole, is promising. In addition, the biofilm inhibition percentages of the compounds were calculated. Molecular docking and molecular dynamics simulations performed with compound 5d are in harmony with activity studies.

Inhibition of apoptosis and biofilm formation in Candida auris by click-synthesized triazole-bridged quinoline derivatives

“…The broad-spectrum activity against various fungal strains of triazole analogues has been demonstrated by various researchers. [28][29][30] 2.2.2 Anti-biolm activity. The impact of the QT7 over 24 h mature biolm was determined with the help of crystal violet assay and Fig.…”

Design and Synthesis of Quinoxaline Hybrids as Modulators of HIF-1a, VEGF, and p21 for Halting Colorectal Cancer

“…It potently inhibited VEGFR-2 at a lower IC 50 value of 1.09 μM compared to sorafenib (IC 50 1.27 μM) . Hybridization of quinoxaline with other anticancer pharmacophores like triazole , has a significant importance and application in cancer control; the N 1 -1,3,4-triazolo-quinoxaline derivative ( IV , IC 50 0.037 μM) showed more potent VEGFR-2 inhibitory activity than sorafenib (IC 50 0.045 μM) …”