Synthesis, Anti-breast Cancer Activity, and Molecular Docking Studies of Thiourea Benzamide Derivatives and Their Complexes with Copper Ion

Recently, there has been a rise in interest the synthesis of chemical compounds with biological activity, especially fight against cancer, which is regarded as modern-day disease. The present study was conducted to synthesize thiourea benzamide derivative ligands and their metal complexes Cu(II). Thiourea Cu(II) were synthesized. structures synthesized elucidated by mass spectra, FT-IR, 13C-NMR, 1H-NMR spectra. Molar conductivity, magnetic susceptibility, SEM, EDX, TG analyses also performed. vitro anticancer activity examined breast cancer cell line MCF-7. Molecular docking (1) (2) performed proteins. include {[Cu(L)2Cl2].nH2O, where L= ( N-((3-nitrophenyl) carbamothioyl) (L1, n= 2, (1)), N-(naphthalen-1-ylcarbamothioyl) (L2, (2)), 4-nitro-N-((4-nitrophenyl) (L3, 0, (3)), 4-nitro-N-(p-tolylcarbamothioyl) (L4, (4)), N-((4-chlorophenyl) carbamothioyl)-4-nitrobenzamide (L5, 4, (5). behave bidentate donors are associated 1:2 (M:L) ratio. Also, geometric shapes prepared octahedral. cellular toxicity evaluation showed that have low efficacy except for (2), high effectiveness. molecular analysis indicated would specifically target PR (PDP: 4OAR) Akt 5KCV) proteins, had lowest values binding energy RMSD. findings this reveal these can be used therapeutic purposes.&nbsp