title: 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.
  
  
  OBJECTIVE
  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.
  
  
  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.affiliation: Biochemistry Department, Faculty of Pharmacy, Ain Shams University, Cairo, Egypt.  m.hussein@pharma.asu.edu.eg.
authors.forename: M H
authors.initials: MH
authors.lastname: Noureldein
mesh_terms: D019440:Anti-Obesity Agents / Q000737:chemistry / Q000494:pharmacology*; D002352:Carrier Proteins / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism; D003198:Computer Simulation; D017076:Computer-Aided Design; D030562:Databases, Protein; D015195:Drug Design; D006801:Humans; D008066:Lipolysis / Q000187:drug effects; D062105:Molecular Docking Simulation; D058990:Molecular Targeted Therapy; D009765:Obesity / Q000188:drug therapy* / Q000378:metabolism / Q000503:physiopathology; D000070778:Perilipin-1; D010750:Phosphoproteins / Q000037:antagonists & inhibitors* / Q000737:chemistry / Q000378:metabolism; D011487:Protein Conformation; D012984:Software; D013329:Structure-Activity Relationship
chemical_list: D019440:Anti-Obesity Agents; D002352:Carrier Proteins; C000602978:PLIN1 protein, human; D000070778:Perilipin-1; D010750:Phosphoproteins