Evaluation of Metabolic Enzyme Inhibitory Potency with Molecular Docking Assisted Studies: Phenolic Compound Analysis of Seseli resinosum

Abstract Seseli taxa are widely known as a traditional medicinal herb, and S. resinosum collected from stony and rocky areas is endemic to the flora of Turkey. In this study, to reveal the plant's pharmacological importance, its ability to inhibit some medicinal enzymes was examined, assisted by molecular docking studies and phytochemical component analysis. The IC50 values for studied enzymes were calculated between 0.434 - 92.81 μg/mL, and the extract has lower inhibitory concentrations against α-glucosidase, α-amylase, and HMG_CoA reductase involved in carbohydrate and cholesterol metabolism. In addition, reverse-phase HPLC analysis was performed to correlate the enzyme inhibition ability with phenolic compositions. Benzoic acid and methyl chavicol were detected as the most abundant ingredients with the amount of 204.50±2.23 and 93.18±1.01 μg g-1, respectively. TPC and TFC of the extract were founded at 31.23 ± 0.56 GAE/g and 5.54 ± 0.11 QE/g, respectively. The extract showed inhibitory and lethal effects, especially against all tested gram-negative strains at 7.5 and 15 mg mL-1, respectively. In conclusion, the present study demonstrated that S. resinosum extract harbors bioactive compounds with inhibitory properties such as benzoic acid and catechin. It is expected that these primary data on the S. resinosum may contribute to building new experimental studies to open new avenues for research to support the pharmacological effects. GRAPHICAL ABSTRACT