In silico discovery of a perilipin 1 inhibitor to be used as a new treatment for obesity.

Abstract

BACKGROUND:

Obesity is a chronic non-communicable disease that affects a lot of people worldwide. Current management strategies for obesity include dietary management, physical exercises and pharmacological agents but sustenance of weight loss is still a problem. Perilipin 1 is a lipid droplet protein that is involved in lipolysis in adipose tissue. Perilipin 1 degradation or knock-out is associated with leanness.

AIM:

The aim of this study is to use computational servers and software to predict the 3D structure of perilipin 1 and predict potential inhibitors to be used as treatment of obesity.

MATERIALS AND METHODS:

The 3D structure of perilipin 1 was predicted by I-TASSER server. ZINC database was used to obtain potential inhibitors for perilipin 1. Docking of potential inhibitors was done using Molegro Virtual Docker.

RESULTS:

The predicted 3D structure of perilipin 1 had a high confidence score reflecting the reliability of the obtained structure. 4-Nitrophenyl 2,3,4-Tri-O-levulinoyl-α-D-mannopyranoside showed a high reliable docking score suggesting its potential action as perilipin 1 inhibitor.

CONCLUSIONS:

This study shows that 4-Nitrophenyl 2,3,4-Tri-O-levulinoyl-α-D-mannopyranoside can be used as an inhibitor for perilipin 1 and a potential treatment for obesity.

• Authors: M H Noureldein
• Journal: European review for medical and pharmacological sciences (Eur Rev Med Pharmacol Sci) Vol. 18 Issue 4 Pg. 457-60 ( 2014) ISSN: 2284-0729 [Electronic] Italy
• PMID: 24610610 (Publication Type: Journal Article)

Chemical References

• Anti-Obesity Agents
• Carrier Proteins
• PLIN1 protein, human
• Perilipin-1
• Phosphoproteins

Topics

• Anti-Obesity Agents (chemistry, pharmacology)
• Carrier Proteins (antagonists & inhibitors, chemistry, metabolism)
• Computer Simulation
• Computer-Aided Design
• Databases, Protein
• Drug Design
• Humans
• Lipolysis (drug effects)
• Molecular Docking Simulation
• Molecular Targeted Therapy
• Obesity (drug therapy, metabolism, physiopathology)
• Perilipin-1
• Phosphoproteins (antagonists & inhibitors, chemistry, metabolism)
• Protein Conformation
• Software
• Structure-Activity Relationship