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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

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

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

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).

IN SILICO STUDY OF SOYBEAN (Glycine max L.) ISOFLAVONES FOR ANTI-BREAST CANCER THROUGH HER2 TARGETING Ayu Tri Agustin; Nadia Khairun Nisa; IGA Karnasih; Mohammad Rofik Usman; Shinta Mayasari
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.v2i2.45

One of the cancers with the most excellent death rates worldwide, including in Indonesia, is breast cancer. Elevated HER2 expression significantly contributes to breast cancer progression by stimulating cell proliferation. Targeted therapies such as trastuzumab have limitations due to potential side effects. This study aims to identify the possible role of soybean (Glycine max L.) isoflavone compounds in inhibiting HER2 using an in silico approach prediction of physicochemical properties, pharmacokinetics, and bioactivity through SwissADME and PASS Online. The Hex 8.0.0 docking tool and Biovia Discovery Studio 2019 looked into how molecules interact with each other in complicated ways. Our study revealed that physicochemically the compounds acetylgenistin, acetylglycitin, and acetyldaidzin met Lipinski's Rule of Five criteria (BM (< 500), Log P (< 5), HBD (< 5), HBA (< 10), and MR (40-130)), pharmacokinetically the compound acetylgenistin met the ADME parameters and bioactively all six compounds had anticancer activity (Pa > 0.2). Based on the results of molecular docking analysis, the six soy isoflavone compounds can interact and have low binding energy values. The binding energy values of malonylgenistin, acetylgenistin, and acetyldaidzin are the lowest and close to trastuzumab, at -286.6, -283.4, and -277.7kcal/mol, respectively. These findings suggest that soybean (Glycine max L.) isoflavone compounds have potential as anticancer drug candidates in inhibiting HER2.

The Comparison Exstracts Of Sambiloto Leaves and roots (Andrographis paniculata) On the Mortality Of Head Lice (Pediculus humanus capitis) Ayu Ferra Dwi Lestari; Ayu Tri Agustin; Ahdiah Imroatul Muflihah
Journal of Medical Laboratory in Infectious and Degenerative Diseases Vol. 4 No. 1 (2026): Juni
Publisher : LPPM Universitas dr. Soebandi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36858/jmid.v4i1.44

Abstract Background: The head lice (Pediculus humanus capitis is an ectoparasite that causes pediculosis capitis, a condition that remains prevalent in densely populated areas such as Islamic boarding schools. Sambiloto (Andrographis paniculata) is known as a traditional medicinal plant containing bioactive compounds—specifically secondary metabolites—that exhibit natural insecticidal activity. Methods: This study used an experimental study design with a Post Only Control group design. The study was conducted in May-June 2025 at the integrated laboratory of Universitas dr. Soebandi, Jember. This study used lice samples obtained from the X Islamic boarding school in Tempurejo village, Jember Regency, as many as 240 lice samples divided into 6 treatment groups. Purposive sampling was used to select the study participants, from whom the head lice specimens were collected. Data were analyzed using both descriptive and statistical methods. Results: The result of this study indicate that the extract of sambiloto leaves and roots on the death of head lice there is a significant difference (p<0.05). The result of the Dunn test analysis identified six significant comparisons, namely negative control – positive control (0.000), negative control – root 40% (0.029), negative control – root 50% (0.031), leaf 40% - positive control (0.002), and leaf 50% - positive control (0.006). The results of this tudyy obtained the death of head lice in the 50% leaf treatment reached 5, while the highest death of head lice was found in the 50% root. Conclusions: The most effective extract sambiloto leaves and roots (Andrographis paniculata) killing head lice (Pediculus humanus capitis) is 50% of the roots within 45 minutes.

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