title: In Silico Studies Revealed Multiple Neurological Targets for the Antidepressant Molecule Ursolic Acid.
abstract: BACKGROUND
  Ursolic acid, a bioactive pentacyclic triterpenoid had been evaluated for its interaction with the neurological targets associated with antidepressant drugs. Current study was to mechanistically analyze the probable site of action for ursolic acid on the target proteins.
  
  
  METHODS
  Ursolic acid has been docked with monoamine oxidase isoforms: MAO-A and MAO-B, LeuT (homologue of SERT, NET, DAT) and Human C-terminal CAP1 using GRIP docking methodology.
  
  
  RESULTS
  Results revealed its non-selective antidepressant action with strong binding affinity towards LeuT and MAO-A proteins, which was found to be comparable with the reference ligands like chlorgyline, clomipramine, sertraline and deprenyl/selegiline.
  
  
  CONCLUSIONS
  Significant binding affinity of ursolic acid was seen with MAO-A, which indicated its potential role in other neurological disorders, for example, Alzheimer's disease and Parkinson disease besides depression.
authors.affiliation: Division of Biological Sciences and Engineering, Netaji Subhas Institute of Technology, Sector-3, Dwarka, New Delhi, 110078, India.
authors.forename: Rajeev K
authors.initials: RK
authors.lastname: Singla
authors.affiliation: Federal University of Paraíba, Campus I, Joao Pessoa-PB, Brazil.
authors.forename: Luciana
authors.initials: L
authors.lastname: Scotti
authors.affiliation: Division of Biological Sciences and Engineering, Netaji Subhas Institute of Technology, Sector-3, Dwarka, New Delhi, 110078, India.
authors.forename: Ashok K
authors.initials: AK
authors.lastname: Dubey
mesh_terms: D000818:Animals; D000928:Antidepressive Agents / Q000737:chemistry / Q000494:pharmacology / Q000627:therapeutic use*; D006801:Humans; D006860:Hydrogen Bonding / Q000187:drug effects; D062105:Molecular Docking Simulation / Q000379:methods*; D008995:Monoamine Oxidase / Q000378:metabolism; D014315:Triterpenes / Q000737:chemistry* / Q000494:pharmacology / Q000627:therapeutic use*; D000097245:Ursolic Acid
chemical_list: D000928:Antidepressive Agents; D008995:Monoamine Oxidase; D014315:Triterpenes; D000097245:Ursolic Acid; C579458:monoamine oxidase A, human
keywords: LeuT inhibitor; MAO-A inhibitor; MAO-B inhibitor; Ursolic acid; adenylyl cylase inhibitor; docking studies.