Antioxidant activity, enzyme inhibition, electrochemical and theoretical evaluation of novel PEPPSI type N-heterocyclic carbene complexes
Citation
Cumhuriyet University, Faculty of Education, Department of Mathematics and Science Education, 58140 Sivas, Turkey. Department of Chemistry, Faculty of Science and Arts, Ordu University, 52200 Ordu, TurkeyAbstract
properties
since they were first isolated. Pyridine is also found in many natural products and is included in the content
of many pharmaceutical molecules. Palladium complexes containing two halogens, a pyridine and an N-heterocyclic
carbene have been identified as PEPPSI (Pyridine-Enhanced Precatalyst Preparation Stabilization and
Initiation). Although Alzheimer Disease is thought to be affected by environmental and genetic factors, it has not
been fully elucidated. There are various mechanisms used to explain the pathogenesis of this disease which guide
the design of new drugs. In Alzheimer Disease cases, acetylcholinesterase activity decreases while butyrylcholinesterase
increases and disproportionate reactive oxygen species is also recorded. So, the drug used in
Alzheimer Disease treatment must have more than one function, that is, the molecule is expected to be effective
in both acetylcholinesterase/butyrylcholinesterase balance and antioxidant activity. In this study, PEPPSI type
complexes were synthesized and characterized. The structural, electronic, and reactivity properties of the molecules
were analyzed by DFT-based calculation methods and Koopman’s Theory. The inhibition activities against
acetylcholinesterase, butyrylcholinesterase and tyrosinase were also analyzed, and the antioxidant activity of the
molecules were investigated. The inhibition and the activity details of the molecules were also evaluated by
molecular docking methods.