Indonesian Journal of Chemical Science
Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science

In Silico Study of Secondary Metabolite Compound from Noni fruit (Morinda citrifolia) as Potential Drug Candidates for Type 2 Diabetes Mellitus Targeting PPAR-γ

Rasya Salma Fauziyyah (Unknown)
Stella Aurelia Huang (Unknown)
Apsari Maratus Sholehah (Unknown)
Tribuana Tungga Dewi (Unknown)
Rina Fajri Nuwarda (Unknown)



Article Info

Publish Date
30 Apr 2025

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.

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Journal Info

Abbrev

ijcs

Publisher

Subject

Chemistry Physics

Description

Indonesian Journal of Chemical Science publishes basic research articles and conceptual of Chemistry, issued three (3) times a year, overall 10 articles per issued. To commemorate important events and agenda, may be issued a special edition that will include 10 articles in each ...