Evaluation of inhibitory potency of endemic Onion bulbs: Analysis of phenolic compounds and enzyme inhibition with the computational study

Abstract

Numerous Allium species have been utilized in complementary medicine based on their biological activities. In the present work, the bulb extract of A. kastambulense was studied for its phenolic content and enzyme inhibition ability assisted by computer-aided molecular docking studies. The evaluation of enzyme inhibition activity of the bulb extract showed that it has 54.70±1.74 134.3±2.12 IC50 for six studied enzymes, respectively. In the reverse-phase HPLC analysis of methanol-chloroform bulb extract, catechin, chlorogenic acid, gentisic acid, vanillic acid, and apigenin were founded to be the represented group of phenolic components. Catechin flavonoid was extensively detected as the most abundant ingredient, and TPC and TFC were calculated at 6.86 ± 0.36 mg g− 1 and 3.22 ± 0.14 mg g− 1. Finally, the catechin ligand has low binding energy values against the studied enzymes with -5.778 - -8.872 kcal/mol.