In-Silico Study of Compounds in The Clove Plant (Syzygium aromaticum L.) As Anti-Diabetic Candidate Targeted at The PPARγ Receptor

Abstract

Diabetes mellitus is a disease caused by multiple etiologies characterized by high blood sugar levels and accompanied by dysfunction in carbohydrate, lipid, and protein metabolism due to insulin insufficiency. Peroxisome proliferator-activated receptor-γ (PPARγ) is nuclear receptor that plays a role in lowering blood sugar levels by increasing insulin sensitivity through carbohydrate and lipid metabolism, also regulating glucose homeostasis. Clove (Syzygium aromaticum L.) has the potential to reduce blood sugar level based on in vivo tests, but the molecular mechanism is still unknown. This study aims to evaluate the bioactive compounds in clove that have potential as antidiabetic drugs using in silico studies through several analyses: Lipinski's rule of five and ADMET prediction, followed by pharmacophore screening and molecular docking against PPARγ. Our results from ten bioactive compounds found in clove (eugenol, gallic acid, quercetin, kaempferol, β-caryophyllene, eugenitin, myricetin, crategolic acid, stigmasterol, and oleanolic acid), kaempferol exhibited the best potential as a PPARγ receptor agonist, with binding affinity and inhibition constant values of -4.68 kcal/mol and 369.30 μM. Still, it is needed to confirm those activities through a series of in vitro tests to prove the potential of cloves as an antidiabetic candidate targeting PPARγ