Phytochemical and in silico investigation of endemic Tanacetum germanicopolitanum (Bornm. & Heimerl) Grierson essential oils for insecticidal and enzyme inhibitory properties

İngilizce (OpenAlex)

The present study provides the first detailed analysis of the chemical composition, insecticidal activity, and enzyme inhibition properties of essential oils (EOs) extracted from the flower (FEOs) and stem-leaf (SLEOs) parts of Tanacetum germanicopolitanum, an endemic species to the Çankırı, Türkiye. According to GC-MS analysis, spathulenol (20.83%), and eudesm-4(14)-en-11-ol (6.11%) for FEOs, spathulenol (20.83%), β-cubebene (12.10%), and camphor (9.40%) for SLEOs were determined as the major components. The insecticidal activity of EOs was evaluated against three stored grain pests: Sitophilus granarius, Tribolium confusum, and Rhyzopertha dominica. The AChE and BChE inhibitory potentials of EOs were also determined in vitro. The key components were also subjected to molecular docking studies targeting these enzymes in silico. The highest contact toxicity was observed with SLEOs against S. granarius and FEOs against R. dominica, with 93.15% and 100% mortality rates at a 10% application dose. Tribolium confusum was found to be more resistant to these oils with a 60-40% mortality rate at 10% concentration. The results of enzyme inhibition indicated that FEOs oil showed more significant activity on AChE and BChE enzymes, with IC50 values of 129.1 μg/mL and 137.0 μg/mL, respectively. In contrast, SLEOs exhibited lower activity, with IC50 values of 766.1 μg/mL and 689.9 μg/mL. Molecular docking studies confirmed that major compounds strongly interact with the active site of both enzymes with different binding energies ranging from -59.099 kcal/mol to -107.186 kcal/mol. The results of the study indicated that T. germanicopolitanum essential oil is a potential insecticide against storage pests.