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In this investigation, we successfully synthesized bismuth oxide (Bi2O3) nanoparticles (NPs) via simple combustion method using Artocarpous heterophyllus (Jackfruit) extract as fuel. Both α and β polymorphs of bismuth oxide NPs was prepared using same Artocarpous heterophyllus fuel but there is a variation in the addition of fuel in the range of 1 mL–6 mL. The prepared NPs were characterized by utilizing spectroscopic techniques. The photocatalytic efficiencies were found to be 84 %, 93 % for both α, β forms respectively. Methylene blue dye exhibits effective degradation for β‐phase compared to α‐phase. Furthermore, Electrochemical impedance spectroscopy and sensing (CV) activities were performed. The bismuth oxide modified electrodes exhibits better sensing activity towards dopamine, ascorbic acid, lead nitrate, and results obtained from EIS data revealed the super capacitor characteristics of Bi2O3 nanoparticles. This extensive investigation assessed the effectiveness of Aspergillus Niger‐fighting drugs, as well as the antibacterial effects of synthesized nanoparticles on Staphylococcus Aureus and Escherichia Coli. Measurements of optical density were used to establish the MIC values for antifungals. The protein 4XUY has a strong binding affinity of −6.4 Kcal/mol, with four important hydrogen bond interactions (LYS51, HIS84, ASN131, and GLU238) revealed by molecular docking research. These results expand our knowledge of the therapeutic uses of bismuth oxide nanoparticles by highlighting their potential as effective antibacterial agents and by providing insightful information about how they work against pathogenic microorganisms. [ABSTRACT FROM AUTHOR]