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

Nouman; Rana, Manish; Ahmedi, Saiema; Arif, Rizwan; Manzoor, Nikhat; Rahisuddin

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.

ANTIFUNGAL agent synthesis; ANTIFUNGAL agents; MOLECULAR docking; MEASUREMENT of viscosity; ULTRAVIOLET-visible spectroscopy; MELTING points

Polycyclic Aromatic Compounds, 2024, Vol 44, Issue 2, p748

1040-6638

Academic Journal

10.1080/10406638.2023.2180523