Dual Inhibition Of Ace and A-Glucosidase by Andrographis Paniculata Bioactive Compounds: An In Silico Strategy for Type 2 Diabetes Management
Keywords:
Andrographis paniculata, Diabetes Mellitus, ACE3, α-glucosidase4, In SilicoAbstract
Type 2 diabetes mellitus (T2DM) is a complex metabolic disorder often complicated by hypertension, requiring therapeutic agents capable of targeting multiple pathogenic pathways simultaneously. This study aimed to evaluate the dual inhibitory potential of bioactive compounds from Andrographis paniculata against angiotensin-converting enzyme (ACE) and α-glucosidase using an in silico approach. Molecular docking simulations were performed using AutoDock Vina, followed by ADMET prediction to assess pharmacokinetic properties. The results revealed that andrographolide exhibited strong binding affinities toward ACE (−9.1 kcal/mol) and α-glucosidase (−9.6 kcal/mol), comparable to standard drugs captopril and acarbose. Interaction analysis confirmed stable hydrogen bonding and hydrophobic interactions within catalytic sites. ADMET evaluation indicated favorable oral bioavailability and low toxicity risk. These findings suggest that A. paniculata compounds have potential as dual inhibitors for T2DM management, although further in vitro and in vivo validation is required.
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