Jurnal
In Silico Study of Secondary Metabolite Compound from Noni fruit (Morinda citrifolia) as Potential Drug Candidates for Type 2 Diabetes Mellitus Targeting PPAR-γ
Indonesian Journal of Chemical Science
ISSN 2502-6844, 2252-6951
Terbit 2025-04-30
Penerbit Prodi Kimia
Bahasa eng
Abstrak
Diabetes type 2 is a chronic metabolic disorder characterized by an increase of blood sugar levels in the body due to insufficient insulin resistance. Noni (Morinda citrifolia L) is a medicinal plant that can be used as an alternative treatment for diabetes. One receptor involved in diabetes treatment is Peroxisome Proliferator-Activated Receptor Gamma (PPAR-γ), which plays a role in insulin sensitization in adipose tissue. This in silico study investigates the potential of noni fruit using Lipinski's Rule of Five (RO5) prediction, ADME-Tox prediction, and molecular docking to identify several metabolites with strong binding affinity to PPAR-γ. The results indicate that rutin violates Lipinski's Rule of Five and has an HIA value of 2.861176%, making it poorly absorbed orally and more suitable for non-oral formulations. The KI value of 4.19 µM and the amino acid interactions most similar to the natural ligand indicate that rutin shows a strong binding affinity to PPAR-γ, demonstrating its potential efficacy as an antidiabetic agent.
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Sumber metadata: OAI-PMH (metadata jurnal) https://journal.unnes.ac.id/journals/ijcs/oai, pertama di-harvest 5 Nov 2026, terakhir terlihat 8 Nov 2026.
Metadata asli (oai_dc)
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<dc:title xml:lang="en">In Silico Study of Secondary Metabolite Compound from Noni fruit (Morinda citrifolia) as Potential Drug Candidates for Type 2 Diabetes Mellitus Targeting PPAR-γ</dc:title>
<dc:creator xml:lang="en">Rasya Salma Fauziyyah</dc:creator>
<dc:creator xml:lang="en">Stella Aurelia Huang</dc:creator>
<dc:creator xml:lang="en">Apsari Maratus Sholehah</dc:creator>
<dc:creator xml:lang="en"> Tribuana Tungga Dewi</dc:creator>
<dc:creator xml:lang="en">Rina Fajri Nuwarda</dc:creator>
<dc:subject xml:lang="en">Morinda citrifolia</dc:subject>
<dc:subject xml:lang="en">Diabetes Mellitus Type 2</dc:subject>
<dc:subject xml:lang="en">PPAR-γ</dc:subject>
<dc:subject xml:lang="en">Molecular Docking</dc:subject>
<dc:subject xml:lang="en">LigandScout</dc:subject>
<dc:description xml:lang="en">Diabetes type 2 is a chronic metabolic disorder characterized by an increase of blood sugar levels in the body due to insufficient insulin resistance. Noni (Morinda citrifolia L) is a medicinal plant that can be used as an alternative treatment for diabetes. One receptor involved in diabetes treatment is Peroxisome Proliferator-Activated Receptor Gamma (PPAR-γ), which plays a role in insulin sensitization in adipose tissue. This in silico study investigates the potential of noni fruit using Lipinski's Rule of Five (RO5) prediction, ADME-Tox prediction, and molecular docking to identify several metabolites with strong binding affinity to PPAR-γ. The results indicate that rutin violates Lipinski's Rule of Five and has an HIA value of 2.861176%, making it poorly absorbed orally and more suitable for non-oral formulations. The KI value of 4.19 µM and the amino acid interactions most similar to the natural ligand indicate that rutin shows a strong binding affinity to PPAR-γ, demonstrating its potential efficacy as an antidiabetic agent.</dc:description>
<dc:publisher xml:lang="en">Prodi Kimia</dc:publisher>
<dc:date>2025-04-30</dc:date>
<dc:type>info:eu-repo/semantics/article</dc:type>
<dc:type>info:eu-repo/semantics/publishedVersion</dc:type>
<dc:type xml:lang="en">Peer-reviewed Article</dc:type>
<dc:format>application/pdf</dc:format>
<dc:identifier>https://journal.unnes.ac.id/journals/ijcs/article/view/8966</dc:identifier>
<dc:identifier>10.15294/ijcs.v14i1.8966</dc:identifier>
<dc:source xml:lang="en">Indonesian Journal of Chemical Science; Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science; 38-46</dc:source>
<dc:source>2502-6844</dc:source>
<dc:source>2252-6951</dc:source>
<dc:language>eng</dc:language>
<dc:relation>https://journal.unnes.ac.id/journals/ijcs/article/view/8966/3746</dc:relation>
<dc:rights xml:lang="en">Copyright (c) 2025 Indonesian Journal of Chemical Science</dc:rights>
</oai_dc:dc>
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APA 7
Fauziyyah, R. S., Huang, S. A., Sholehah, A. M., Dewi, T. T., & Nuwarda, R. F. (2025). In Silico Study of Secondary Metabolite Compound from Noni fruit (Morinda citrifolia) as Potential Drug Candidates for Type 2 Diabetes Mellitus Targeting PPAR-γ. Indonesian Journal of Chemical Science, 14(1), 38–46. https://doi.org/10.15294/ijcs.v14i1.8966
Salin
IEEE
R. S. Fauziyyah, S. A. Huang, A. M. Sholehah, T. T. Dewi, and R. F. Nuwarda, “In Silico Study of Secondary Metabolite Compound from Noni fruit (Morinda citrifolia) as Potential Drug Candidates for Type 2 Diabetes Mellitus Targeting PPAR-γ,” Indonesian Journal of Chemical Science, vol. 14, no. 1, pp. 38–46, 2025, doi: 10.15294/ijcs.v14i1.8966.
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