Synthesis, Characterization, and Molecular Docking Analysis of A Novel NHC Salt and Its Palladium-PEPPSI Complex

PEPPSI type Pd complexes have wide applications in recent years. Serum albumin carries very important molecules such as oleic and linoleic acids, nitric oxide, vitamin B6, thyroid so do many drugs. In this study, a novel NHC molecule its Pd-PEPPSI complex were synthesized characterized. Both the ligand optimized by DFT-based calculation methods. The binding properties of with HSA analyzed molecular docking Binding affinity -8.04 kcal/mol inhibition constant 1.29 µM determined for salt while was calculated -7.04 6.92 complex.