Antifungal susceptibility using disk diffusion assay for the lead compounds 3a and 3b against <i>C</i>. <i>albicans</i> ATCC 90028, FLC-susceptible <i>C</i>. <i>albicans</i> D27 and FLC-resistant <i>C</i>. <i>albicans</i> D15.9.

<p>Antifungal susceptibility using disk diffusion assay for the lead compounds 3a and 3b against <i>C</i>. <i>albicans</i> ATCC 90028, FLC-susceptible <i>C</i>. <i>albicans</i> D27 and FLC-resistant <i>C</i>. <i>albicans</i> D15.9.</p

Anti-<i>Candida</i> activity of newly synthesized 1, 2, 3-triazoles.

<p>Anti-<i>Candida</i> activity of newly synthesized 1, 2, 3-triazoles.</p

Effect of 3a and 3b on the rate of H⁺ efflux by <i>C</i>. <i>albicans</i> ATCC 90028, FLC-susceptible <i>C</i>. <i>albicans</i> D27 and FLC-resistant <i>C</i>. <i>albicans</i> D15.9 in the presence and absence of glucose (G).

<p>Both the test compounds had a greater inhibitory effect on H⁺ efflux in comparison to FLC.</p

Intracellular pH of <i>C</i>. <i>albicans</i> ATCC 90028; FLC-susceptible <i>C</i>. <i>albicans</i> D27and FLC-resistant <i>C</i>. <i>albicans</i> D15.9 with and without the treatment of 100 μg/mL of test compounds 3a and 3b.

<p>Fluconazole (10 μg/mL) was used as standard drug. The decrease in pH showed the accumulation of H⁺ ions due to reduced activity of the proton pump. The acidity error bars represent Mean±S.D. from three independent recordings.</p

4-Bromo-1,8-Naphthalimide derivatives as Antifungal Agents: Synthesis, Characterization, DNA Binding, Molecular docking, Antioxidant and ADMET studies

A series of heterocyclic derivatives (2a-2n) was synthesized and characterized by melting point, FT-IR 1H, 13C NMR, UV-visible spectroscopy and mass spectrometry. In vitro antifungal activity of the heterocyclic derivatives (2a-2n) was evaluated against the fungal strains: C. albicans, C. glabrata and C. tropicalis. The results revealed that heterocyclic analog 2a exhibits significant activity against all three strains with MIC value of 200 μg/mL, 2b exhibits antifungal activity against C. albicans with MIC value of 400 μg/mL and C. glabrata and C. tropicalis with MIC value of 500 μg/mL. Analog 2m also shows antifungal activity against C. albicans with MIC values of 200 μg/mL and C. glabrata and C. tropicalis with a MIC value 250 μg/mL as compared to the standard drug fluconazole. The binding interaction study of promising heterocyclic derivatives 2a, 2b, and 2m with CT-DNA was carried out by using UV-visible, fluorescence, cyclic voltammetry, circular dichroism, and viscosity measurements. The molecular docking study of the heterocyclic derivatives (2a–2n) was done with PDB ID: 1BNA. The pharmacokinetics properties of the heterocyclic derivatives (2a–2n) showed good oral bioavailability. Antioxidant potential of heterocyclic derivatives (2a–2n) was further approximated through DPPH and H2O2 free radical and showed that all the derivatives exhibited remarkable antioxidant activity.</p

Docking and binding mode of (A) FLC (B) E5 and (C) EUG in the active site pocket of modelled CYP51 of <i>Candida albicans</i>.

<p>EUG showing interaction with other residues of the protein away from the pocket and heme.</p

Geometric evaluation of the modeled protein and the template shown as Ramachandran plots for 4KOF (A) and modeled protein (B); 97% of residues were in the favor, 2.9% allowed regions, and 0.2% was in the outlier region as compared to 4KOF template (97.5%, 2.3%, and 0.2%).

<p>Geometric evaluation of the modeled protein and the template shown as Ramachandran plots for 4KOF (A) and modeled protein (B); 97% of residues were in the favor, 2.9% allowed regions, and 0.2% was in the outlier region as compared to 4KOF template (97.5%, 2.3%, and 0.2%).</p

Relative expression of <i>ERG11</i> of <i>C</i>. <i>albicans</i> ATCC90028, <i>C</i>. <i>albicans</i> 2281 and <i>C</i>. <i>albicans</i> 3001 exposed to different eugenol-tosylates (E1-E6) or FLC at their respective MIC values.

<p>Control represent the compound free cells and had an average relative expression (of 3 independent recordings) with *3.124±0.124; **2.234±0.134; ***1.795±0.102</p

Isobolograms depicting synergistic interactions of eugenol-tosylates (E1 to E6) with fluconazole in nine different ratios against different <i>Candida albicans</i> isolates.

<p>Isobolograms depicting synergistic interactions of eugenol-tosylates (E1 to E6) with fluconazole in nine different ratios against different <i>Candida albicans</i> isolates.</p

UV spectrophotometric sterol profiles of representative laboratory strain <i>C</i>. <i>albicans</i> ATCC 90028 (A), clinical fluconazole-susceptible <i>C</i>. <i>albicans</i> 2281 (B) and Clinical fluconazole-resistant <i>C</i>. <i>albicans</i> 3001 (C) strains after treatment with MIC and ½ MIC values of compounds E1 to E6.

<p>Isolates were grown for 16 h in sabouraud dextrose broth and sterols were extracted using alcoholic KOH and n-heptane from the treated and untreated cells and spectral profiles between 240 and 300 nm were determined. Control represents the culture cells without any treatment and positive control represents cells treated with 64 μg/ml of fluconazole.</p