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Richa Mardianingrum
Department of Pharmacy, Faculty of Health Science, Universitas Perjuangan
Chemistry

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Potential Antidiabetic Activity of Annona muricata Leaves as Enzyme α-amylase Inhibitor: In Silico Study Zahra Putri Handirana; Tresna Lestari; Richa Mardianingrum; Ruswanto Ruswanto
Jurnal Kimia Valensi Jurnal Kimia VALENSI, Volume 12, No. 1, May 2026
Publisher : Department of Chemistry, Faculty of Science and Technology Syarif Hidayatullah Jakarta State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v12i1.46091

Abstract

Diabetes mellitus is a prevalent metabolic disorder requiring effective and safe therapeutic approaches. Natural compounds have gained attention as potential alternatives to synthetic drugs such as acarbose, which may cause adverse effects. This study aimed to evaluate the antidiabetic potential of secondary metabolites from Annona muricata leaves as α-amylase inhibitors using an in-silico approach. Molecular docking (PyRx), molecular dynamics simulation (Desmond, 100 ns), and ADMET prediction were performed to assess binding affinity, stability, and drug-likeness properties. Among the tested compounds, three lead compounds exhibited the strongest binding affinity: coclaurine (-9.25 kcal/mol), (+)(-) Xylopine (-8.94 kcal/mol), and annomuricine (-8.82 kcal/mol) compared to acarbose (-4.95 kcal/mol). Molecular dynamics analysis demonstrated annomuricine was the most stable interaction with key catalytic residues (Asp197, Glu233, and Asp300). Additionally,annomuricine satisfied Lipinski’s Rule of Five and showed favorable pharmacokinetic profiles, although it interacted with CYP enzymes. In conclusion, annomuricine demonstrates strong potential as a natural α-amylase inhibitor and may serve as a promising candidate for antidiabetic drug development. However, further in vitro and in vivo studies are required to validate these findings.
Co-Authors Ruswanto Ruswanto Tresna Lestari Zahra Putri Handirana