This work aimed to investigate the impact of Lead-fluoride based glasses via theoretical and simulation techniques on mechanical and radiation shielding parameters. Accordingly, a glass composition PbF2 blended with TeO2-B2O3-Bi2O3 glasses were synthesised by using melt-quenching method. Using Fluka Monte Carlo code, the radiation shielding properties have measured. Moreover. Comparatively higher density PbF80= 6.163g/cm3 with 80 mol % Bi2O3, greater µ, µm and Zeff and lower T1/2, l, tenth value layer values achieved for TeO2-B2O3-Bi2O3/PbF2 glass pointed it out as the best shield of gamma. Besides, the computed effective removal cross-sections against fast neutrons (ΣR) observed that the PbF80 sample has commensurately greater with value 5.2954 (cm-1) The results observed that the variation Bi2O3/PbF2 improves the gamma protection ability of Lead-fluoride based glasses. The longitudinal modulus-L, shear modulus-S, bulk modulus-K, and Young’s modulus-Y raised from 15.89 to 25.9 -GPa, from 8.49 to 12.09 -GPa, from 4.58 to 9.77 -GPa, and from 15.74 to 25.69 -GPa, respectively. The results indicate that the highest Bi2O3/PbF2 ratio encoded PbF80 has the best shielding and mechanical competence with measurable physical properties.