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All Journal Jurnal Kesehatan Amanah Indonesian Pharmacopeia Journal (IPJ)
Ayu Tri Agustin
Universitas dr. Soebandi
Chemistry Health Professions Medicine & Pharmacology Nursing Public Health

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The Potential Of Bioactive Compounds Of Moringa oleifera Leaves as α-Glucosidase Inhibitor Reveals Antidiabetic Activity Ayu Tri Agustin; Nabila Al Unaizah; Lulut Sasmito; Mohammad Rofik Usman
Indonesian Pharmacopeia Journal Vol. 2 No. 2 (2025): 31 July 2025
Publisher : LPPM Universitas dr. Soebandi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36858/ipj.v2i2.47

Abstract

Type 2 diabetes mellitus is the most common type of diabetes, accounting for approximately 90% of all diabetes cases. The enzyme α-glucosidase is an important therapeutic target due to its role in breaking down carbohydrates into glucose in the small intestine. Moringa leaves (Moringa oleifera) are known to have antihyperglycemic effects through the inhibition of this enzyme, making the active compounds within them a potential natural antidiabetic agent. This study aims to evaluate the physicochemical profile, pharmacokinetics, and bioactivity of six compounds in moringa leaves (4-Undecylbenzenesulfonic acid, Apigetrin, Quercetin-3-β-D-glucoside, D-(-) -Quinic acid, Corchorifatty acid F, and 4-Hydroxybenzaldehyde) using in silico methods, with Voglibose as a control, against the α-glucosidase receptor (PDB ID: 5KZX) via the Hex 8.0.0, PyRx 0.8, and BIOVIA Discovery Studio 2019 applications. The results showed that four compounds (Apigetrin, D-(-)Quinic acid, Corchorifatty acid F, and 4-Hydroxybenzaldehyde) met Lipinski's rules and had good pharmacokinetic profiles. In terms of bioactivity, Apigetrin and D-(-)Quinic acid had Pa values >0.5, indicating potential as antidiabetic agents. Docking analysis revealed that all compounds could interact with α-glucosidase, but their binding energies were still higher than Voglibose (-1425.3 kcal/mol). Among the tested compounds, Apigetrin showed the lowest value (-334.1 kcal/mol). This study suggests that Apigetrin, D-(-)-Quinic acid, Corchorifatty acid F, and 4-Hydroxybenzaldehyde may have potential as candidates for type 2 antidiabetic drugs due to their α-glucosidase inhibitory properties. Based on the binding energy of the compounds found in moringa leaves, they bind outside the active site of the ligand.
Uji Potensi Senyawa Bioaktif Ekstrak Antosianin Jagung Ungu sebagai Inhibitor Cyclin-Dependent Protein Kinase 6 (CDK6) Ayu Tri Agustin; Anas Fadli Wijaya
Jurnal Kesehatan Amanah Vol. 7 No. 2 (2023): Oktober: Jurnal Kesehatan Amanah
Publisher : Universitas Muhammadiyah Manado

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.57214/jka.v7i2.758

Abstract

Cancer is characterized by uncontrolled cell proliferation. The upregulation and activation of the Cyclin-Dependent Protein Kinase 6 (CDK6) signaling pathway can induce unregulated breast cancer cell proliferation. Therefore, CDK6 inhibition continues to be developed as a potential target for drug design and development to treat breast cancer. This study aims to predict the biofunction of anthocyanin compounds from purple corn extract as inhibitors of Cyclin-Dependent Protein Kinase 6 (CDK6) using an in silico approach. The research methods included data mining, ligand and receptor preparation, molecular docking, docking visualization, and data analysis. Our results indicate that six compounds from purple corn extract (cyanidin, cyanidin 3-glucoside, pelargonidin-3-glucoside, pelargonidin, peonidin, and peonidin-3-glucoside) can bind to CDK6 at the C-terminal and N-terminal domains. The binding pattern suggests that cyanidin, cyanidin 3-glucoside, pelargonidin-3-glucoside, pelargonidin, peonidin, and peonidin-3-glucoside interact with CDK6 residues in the same manner as Palbociclib (control). This finding indicates that compounds from purple corn have the potential to act as competitive CDK6 inhibitors. Peonidin-3-glucoside exhibited the lowest binding energy of -282.5 kcal/mol, approaching that of Palbociclib (-329.4 kcal/mol).
Uji Potensi Senyawa Bioaktif Ekstrak Antosianin Jagung Ungu sebagai Inhibitor Cyclin-Dependent Protein Kinase 6 (CDK6) Ayu Tri Agustin; Anas Fadli Wijaya
Jurnal Kesehatan Amanah Vol. 8 No. 2 (2024): Jurnal Kesehatan Amanah
Publisher : Universitas Muhammadiyah Manado

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.57214/jka.v8i2.761

Abstract

Cancer is characterized by uncontrolled cell proliferation. The upregulation and activation of the Cyclin-Dependent Protein Kinase 6 (CDK6) signaling pathway can induce unregulated breast cancer cell proliferation. Therefore, CDK6 inhibition continues to be developed as a potential target for drug design and development to treat breast cancer. This study aims to predict the biofunction of anthocyanin compounds from purple corn extract as inhibitors of Cyclin-Dependent Protein Kinase 6 (CDK6) using an in silico approach. The research methods included data mining, ligand and receptor preparation, molecular docking, docking visualization, and data analysis. Our results indicate that six compounds from purple corn extract (cyanidin, cyanidin 3-glucoside, pelargonidin-3-glucoside, pelargonidin, peonidin, and peonidin-3-glucoside) can bind to CDK6 at the C-terminal and N-terminal domains. The binding pattern suggests that cyanidin, cyanidin 3-glucoside, pelargonidin-3-glucoside, pelargonidin, peonidin, and peonidin-3-glucoside interact with CDK6 residues in the same manner as Palbociclib (control). This finding indicates that compounds from purple corn have the potential to act as competitive CDK6 inhibitors. Peonidin-3-glucoside exhibited the lowest binding energy of -282.5 kcal/mol, approaching that of Palbociclib (-329.4 kcal/mol).
Co-Authors Anas Fadli Wijaya Lulut Sasmito Mohammad Rofik Usman Nabila Al Unaizah