Neuroprotective effects of Artemisia campestris essential oil against chlorpyrifos-induced toxicity in rats supported by computational modelling

This research investigated the protective effects of Artemisia Campestris essential oil (ACEO) against chlorpyrifos (CPF) toxicity in rats supported by computational modelling. Rats were divided into four groups: Group 1 (control), Group 2 (CPF treatment for 20 days, 10mg/kg/day), Group 3 (pre-treatment with ACEO for 10 days followed by CPF for 10 days), and Group 4 (ACEO treatment for 20 days). Our findings showed that CPF administration led to hematological disturbances, such as increased white blood cells and decreased red blood cells, hemoglobin, and hematocrit. CPF also disturbed biochemical parameters like acetylcholinesterase (AChE), glycemia, cholesterol, and total bilirubin. Histopathological changes were observed in the brain and spleen. ACEO pre-treatment protected against these disturbances. Histopathological analysis showed that ACEO improved tissue damage in the brain and spleen caused by CPF. In silico ADMET predictions indicated that the major molecules in ACEO exhibited favorable pharmacokinetics. Seven phytoconstituents showed significant binding affinity to human AChE pointing to their potential as neuroprotective agents. The stability of (+)-spathulenol, a lead compound, was studied through dynamic simulations for 200ns, showing promise as an AChE inhibitor similar to Donepezil. This study highlights ACEO's potential as an eco-friendly agent to enhance antioxidant defenses and counteract CPF's harmful effects.