title: In vitro acetylcholinesterase inhibition by psoralen using molecular docking and enzymatic studies.
abstract: BACKGROUND
  Alzheimer's disease (AD) has increased at an alarming rate and is now a worldwide health problem. Inhibitors of acetylcholinesterase (AChE) leading to inhibition of acetylcholine breakdown constitute the main therapeutic strategy for AD. Psoralen was investigated as inhibitor of AChE enzyme in an attempt to explore its potential for the management of AD.
  
  
  METHODS
  Psoralen was isolated from powdered Psoralea corylifolia fruits. AChE enzyme inhibitory activity of different concentrations of psoralen was investigated by use of in vitro enzymatic and molecular docking studies. Further, the enzyme kinetics were studied using Lineweaver-Burk plot.
  
  
  RESULTS
  Psoralen was found to inhibit AChE enzyme activity in a concentration-dependent manner. Kinetic studies showed psoralen inhibits AChE in a competitive manner. Molecular docking study revealed that psoralen binds well within the binding site of the enzyme showing interactions such as π-π stacking and hydrogen bonding with residues present therein.
  
  
  CONCLUSIONS
  The result of AChE enzyme inhibitory activity of the psoralen in this study is promising. It could be further explored as a potential candidate for further development of new drugs against AD.
authors.affiliation: Department of Pharmaceutical Sciences and Technology, Pharmacology Research Lab II, Mumbai, Maharashtra, India.
authors.forename: Gauresh
authors.initials: G
authors.lastname: Somani
authors.affiliation: Department of Pharmaceutical Sciences and Technology, Pharmacology Research Lab II, Mumbai, Maharashtra, India.
authors.forename: Chinmay
authors.initials: C
authors.lastname: Kulkarni
authors.affiliation: Department of Pharmaceutical Sciences and Technology, Medicinal Natural Products Research Laboratory, Mumbai, Maharashtra, India.
authors.forename: Prashant
authors.initials: P
authors.lastname: Shinde
authors.affiliation: Department of Pharmaceutical Sciences and Technology, Medicinal Chemistry Research Laboratory, Institute of Chemical Technology (University under Section 3 of UGC Act-1956, Elite Status and Centre of Excellence-Government of Maharashtra, TEQIP Phase II Funded), Mumbai, Maharashtra, India.
authors.forename: Rupesh
authors.initials: R
authors.lastname: Shelke
authors.affiliation: Department of Pharmaceutical Sciences and Technology, Medicinal Natural Products Research Laboratory, Mumbai, Maharashtra, India.
authors.forename: Kirti
authors.initials: K
authors.lastname: Laddha
authors.affiliation: Department of Pharmaceutical Sciences and Technology, Pharmacology Research Lab II, Mumbai, Maharashtra, India.
authors.forename: Sadhana
authors.initials: S
authors.lastname: Sathaye
keywords: Acetylcholinesterase enzyme; docking; psoralen