Presentation Date: Feb 14, 2026
AGSA Abstract
Diabetes mellitus affects approximately 527 million people globally, with projections reaching 783 million by 2045. Conventional insulin therapy and pharmacological interventions present challenges including high costs, limited efficacy, and adverse effects, necessitating alternative therapeutic strategies. This study investigated the antidiabetic potential of phytochemicals from purple and orange-fleshed Ipomoea batatas (sweet potato) through computational evaluation of their inhibitory activity against human glucokinase and alpha-amylase, compared to standard drugs Miglitol and Metformin. Molecular docking analysis of 177 phytochemicals from both sweet potato varieties was performed using PyRx software. Pharmacokinetic profiles, including ADMET properties, drug-likeness, and bioavailability, were assessed using AdmetSAR2 and SwissADME platforms. Results revealed superior binding affinities compared to reference drugs. Against human glucokinase, purple-fleshed varieties yielded potent inhibitors including Apigetrin (-8.2 kcal/mol), Glycitein (-8.1 kcal/mol), and Rhamnetin (-8.1 kcal/mol), while orange-fleshed varieties produced Kaempferol-7-rhamnoside (-8.3 kcal/mol) and Aromadendrin (-8.2 kcal/mol), substantially outperforming Miglitol (-4.8 kcal/mol) and Metformin (-4.7 kcal/mol). For alpha-amylase inhibition, Apigetrin (-9.3 kcal/mol) and Kaempferol-7-rhamnoside (-9.4 kcal/mol) from purple and orange varieties respectively demonstrated exceptional potency. Additional compounds including Rhamnetin, Chrysin, Cianidanol, and Afzelechin exhibited binding energies ranging from -8.3 to -8.8 kcal/mol, significantly surpassing Miglitol (-5.5 kcal/mol) and Metformin (-4.9 kcal/mol). This computational study identifies multiple phytochemicals from Ipomoea batatas as promising dual-target inhibitors for diabetes management, with enhanced binding affinity and stable molecular interactions. These findings warrant further in vitro and in vivo validation for developing novel, plant-based antidiabetic therapeutics.
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