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Homology modeling and molecular docking studies on Type II diabetes complications reduced PPARγ receptor with various

S Prabhu1, S Vijayakumar1, P Manogar1

  • 1Computational Phytochemistry Lab, PG and Research Department of Botany and Microbiology, AVVM Sri Pushpam College (Autonomous) Poondi, Thanjavur (Dist), Tamil Nadu, India.

Biomedicine & Pharmacotherapy = Biomedecine & Pharmacotherapie
|June 3, 2017
PubMed

Insights

Punigluconin, a natural compound, shows promise for activating Peroxisome proliferator-activated receptor gamma (PPARγ). This research suggests it could be a safer alternative for managing metabolic syndromes and type II diabetes complications.

Area of Science:

  • Pharmacology
  • Molecular Biology
  • Drug Discovery

Background:

  • Peroxisome proliferator-activated receptor gamma (PPARγ) regulates fatty acid storage and glucose metabolism, crucial for metabolic syndrome and type II diabetes.
  • Existing PPARγ agonists cause severe side effects, necessitating the search for safer alternatives.
  • Natural products offer a promising avenue for discovering novel therapeutic agents.

Purpose of the Study:

  • To identify potential PPARγ activators from bioactive molecules in traditional medicinal plants.
  • To evaluate the binding affinity of selected natural compounds to PPARγ using molecular docking.

Main Methods:

  • Selection of bioactive molecules from traditional medicinal plants.
  • In silico molecular docking studies against the PPARγ target.
  • Analysis of docking scores and binding affinities.

Main Results:

  • Punigluconin demonstrated a superior docking score and favorable binding affinity compared to other tested ligands.
  • The results indicate Punigluconin's potential as an effective PPARγ activator.
  • This compound warrants further investigation for therapeutic applications.

Conclusions:

  • Punigluconin is a promising drug candidate for PPARγ activation.
  • Further research is needed to confirm its efficacy and safety for potential drug development.
  • This study highlights the potential of natural products in addressing unmet medical needs.
Keywords:
Homology modelingLigand moleculesMolecular dockingPPARγType II diabetes

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