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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 (2025) · pp. 38–46

DOI
10.15294/ijcs.v14i1.8966
ISSN
2502-6844, 2252-6951
Published
2025-04-30
Publisher
Prodi Kimia
Language
eng

Abstract

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.

Keywords

Collaboration network of the authors

30 authors · 101 co-authorship links

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  • Universitas Jambi
  • Affiliation unknown
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  • Same organisation
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Co-authorOrganisationJoint articles
Rizky Prasiska WulandariAffiliation unknown2
Halwa Aulia NurdinAffiliation unknown2
Martina AnjelinaAffiliation unknown1
Fahri RenaldiAffiliation unknown1
Kalya Kama ShabiraAffiliation unknown1
Selly Trianingrum FebriyantiAffiliation unknown1
Maryam Zakiatun NissaAffiliation unknown1
Mayra Fauzia RukmanaAffiliation unknown1
Muhammad Arya HadiantoAffiliation unknown1
Ridha Nurul KarinaAffiliation unknown1
Ellisya Maharani PutriAffiliation unknown1
Fina FatimahAffiliation unknown1
Syaira Bintang AlghifanieAffiliation unknown1
Mila Karisma FitriawatiAffiliation unknown1
Fakih HaikalAffiliation unknown1
Fadia FatihaAffiliation unknown1
Ervina SetiawatiAffiliation unknown1
Yusnaidar YusnaidarUniversitas Jambi1
Faizar FaridAffiliation unknown1
Indra Lasmana TariganAffiliation unknown1
Madyawati LatiefAffiliation unknown1
Alfi KhatibAffiliation unknown1
Anisa BelaAffiliation unknown1
NelsonAffiliation unknown1
Satria PrabawaAffiliation unknown1

Affiliations come from OpenAlex; journal OAI-PMH metadata carries none. Authors without an OpenAlex ID are matched by name, which can merge or split people.

Metadata source: OAI-PMH (metadata jurnal) https://journal.unnes.ac.id/journals/ijcs/oai, first harvested 5 Nov 2026, last seen 8 Nov 2026.
Original metadata (oai_dc) 
<oai_dc:dc xmlns="http://www.openarchives.org/OAI/2.0/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/  http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
	<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>