An experimental and computational approach to evaluate the antidiabetic activity of Guggul gum by inhibition of a common diabetes target

Abstract

Abstract Background In recent years, plant formulations with antidiabetic and antioxidant properties have gained popularity due to their lower cost and lesser side effects. Guggul gum is one such formulation that is already being used in curing arthritis, lowering cholesterol, and in weight management. The present study explored the antioxidant and antidiabetic properties of the aqua-ethanolic guggul gum extract (Commiphora wightii) using in vitro assays and in silico techniques. To predict the inhibition, GCMS-identified compounds were docked to the Human pancreatic α-amylase (PDB ID: 1HNY) in in silico studies. The inhibition of alpha-amylase enzyme (a common diabetes target) has been further evaluated at an in vitro level to show a hypoglycemic role of the compounds. Results The extract showed a good amount of phenolic (5.14 ± 0.011 mg) and flavonoid (0.66 ± 0.023 mg) content along with a promising free radical scavenging activity of 41.96 ± 4.02% at the highest concentration (9.6 mg/ml). For the in silico studies, the drug-likeliness of the GCMS-identified bioactive compounds of the extract was evaluated using SwissADME. Out of 6 compounds, 3 showed permissible values for LIPO, FLEX, INSATU, INSOLU, POLAR, and SIZE suggesting them as a potential candidate for antidiabetic drugs. In molecular docking studies, out of 6 GCMS-identified compounds, three showed binding energy (BE) more than the standard drug acarbose indicating better inhibition. This was further confirmed by in vitro analysis where the pancreatic α-amylase inhibitory activity of the extract and the standard drug (acarbose) at an IC50 value of 4.17 ± 1.26 mg/ml and 3.69 ± 0.89 mg/ml respectively, were comparable. Conclusion The results demonstrated Guggul gum as a potential alternative to commercial antidiabetic drugs. However, the isolation of the identified compounds could be done in the future for in vivo studies that can substantiate the extract’s significant role in diabetes management.