title: Sedative-hypnotic-like effect and molecular docking of di-naphthodiospyrol from Diospyros lotus in an animal model.
abstract: BACKGROUND
  Diospyros lotus Linn commonly known as date-plum, or Caucasian persimmon has multiple uses in folk medicine. Various parts of this plant is used for alleviating lumbago, dysponea, hemorrhage, insomnia, and hiccup. The plant extracts possess a variety of biological activities, such as anti-inflammatory, sedative, febrifuge, anti-microbial, vermifuge, and anti-hypertensive.
  
  
  OBJECTIVE
  The aim of the present work is to investigate the sedative-hypnotic effect of a rare dimeric napthoquione 1 obtained from the chloroform soluble fraction of D. lotus extracts.
  
  
  METHODS
  Compound 1, di-naphthodiospyrol at 5, 10, and 15mg/kg intraperitoneal doses was assessed for its in vivo sedative effect in an open-field using a phenobarbitone-induced sleeping time model. The geometry of di-naphthodiospyrol was also optimized with the aid of density functional theory. In addition, molecular docking of compound 1 was performed with the receptor GABAA.
  
  
  RESULTS
  The animal protocol-based assay showed significant sedative-hypnotic-like effects of compound 1 at various test doses (5, 10, and 15mg/kg i.p.). Docking studies indicated that this compound interacts strongly with important residues in receptor GABAA.
  
  
  CONCLUSIONS
  Results from this investigation reveal that compound 1 possesses sedative-hypnotic- like properties which can be of interest in therapeutic research.
authors.affiliation: Department of Chemistry, University of Swabi Anbar, 23430 Khyber Pakhtunkhwa, Pakistan. Electronic address: mashaljcs@yahoo.com.
authors.forename: Abdur
authors.initials: A
authors.lastname: Rauf
authors.affiliation: Insitute of Chemical Sciences, University of Peshawar, Peshawar 25120, Pakistan.
authors.forename: Taibi Ben
authors.initials: TB
authors.lastname: Hadda
authors.affiliation: Mohammed First University, Faculty of Sciences, Department of Chemistry, Materials Chemistry Laboratory, Oujda 60000, Morocco.
authors.forename: Ghias
authors.initials: G
authors.lastname: Uddin
authors.affiliation: Bioinformatics and High Performance Computing Research Group (BIO-HPC), Universidad Católica San Antonio de Murcia (UCAM), 30107 Murcia, Spain.
authors.forename: José P
authors.initials: JP
authors.lastname: Cerón-Carrasco
authors.affiliation: Bioinformatics and High Performance Computing Research Group (BIO-HPC), Universidad Católica San Antonio de Murcia (UCAM), 30107 Murcia, Spain.
authors.forename: Jorge
authors.initials: J
authors.lastname: Peña-García
authors.affiliation: Bioinformatics and High Performance Computing Research Group (BIO-HPC), Universidad Católica San Antonio de Murcia (UCAM), 30107 Murcia, Spain.
authors.forename: Horacio
authors.initials: H
authors.lastname: Pérez-Sánchez
authors.affiliation: Department of Pharmacy, Abdul Wali Khan University Mardan, 23200, Pakistan.
authors.forename: Haroon
authors.initials: H
authors.lastname: Khan
authors.affiliation: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah, P.O. Box 42, Saudi Arabia.
authors.forename: Saud
authors.initials: S
authors.lastname: Bawazeer
authors.affiliation: Bioinformatics and Medical Informatics Research Center, San Diego State University, San Diego, CA 92182, USA.
authors.forename: Seema
authors.initials: S
authors.lastname: Patel
authors.affiliation: Department of Chemistry, The University of Jordan, Amman 11942, Jordan. Electronic address: mmubarak@ju.edu.jo.
authors.forename: Mohammad S
authors.initials: MS
authors.lastname: Mubarak
authors.affiliation: Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Umm Al-Qura University, Makkah, P.O. Box 42, Saudi Arabia.
authors.forename: Tareq
authors.initials: T
authors.lastname: Abu-Izneid
authors.affiliation: Department of Chemistry, College of Science, King Saud University, P. O. Box 2455, Riyadh 11451, Saudi Arabia.
authors.forename: Yahia Nasser
authors.initials: YN
authors.lastname: Mabkhot
mesh_terms: D000818:Animals; D029788:Diospyros / Q000737:chemistry*; D006993:Hypnotics and Sedatives / Q000737:chemistry / Q000494:pharmacology*; D051379:Mice; D023421:Models, Animal; D062105:Molecular Docking Simulation; D009284:Naphthols / Q000737:chemistry / Q000494:pharmacology*; D009285:Naphthoquinones / Q000737:chemistry*; D010634:Phenobarbital; D018079:Receptors, GABA / Q000378:metabolism; D012890:Sleep / Q000187:drug effects
chemical_list: D006993:Hypnotics and Sedatives; D009284:Naphthols; D009285:Naphthoquinones; D018079:Receptors, GABA; C000616097:di-naphthodiospyrol; C014056:diospyrol; D010634:Phenobarbital
keywords: Dimeric napthoquione; Molecular docking; Sedative-hypnotic effect