Transition Metal Complexes of Turmeric Schiff Base: A New Avenue for the Development of Antioxidant, Anti‐Inflammatory, and Preliminary Anticancer Therapies via In Silico, In Vitro, and In Vivo Assessments

ABSTRACT In the current study, Knoevenagel condensates mediated by ultrasound were created using cinnamaldehyde and physiologically active curcumin. These Knoevenagel condensates have been reacted with 4‐aminoantipyrene to create curcumin Schiff bases. The octahedral geometry of the synthesized transition metal complexes is verified by a range of analytical methods and spectroscopic techniques. It is interesting to note that viscosity tests against calf thymus‐DNA and UV–visible absorption titration are used to confirm the synthetic drugs intercalative binding effectiveness. VLS3D online program was utilized to examine the properties of SWISS ADME. The experimental validation of antioxidant and anti‐inflammatory activity demonstrates that theoretical expectations align with the experimental findings. The minimum inhibitory concentration values of the synthesized complexes show that they are more effective against microbes than ligand. Density functional theory simulations were performed at the B3LYP/6–31G(d) level to examine the complexes' thermodynamic stability and physiological accessibility. Every synthetic molecule has been docked against the bovine serum albumin 3v03 enzyme.