title: Ligand based pharmacophore model development for the identification of novel antiepileptic compound.
abstract: Epilepsy is a common neurological disorder throughout the world which is characterized by recurrent unprovoked epileptic seizures. A need exists for the development of new antiseizure drugs with improved efficacy and tolerability, as several of the currently available antiepileptic drugs (AEDs) have been associated with severe side effects. A ligand based pharmacophore approach has been generated for 44 new antiepileptic compounds with emphasis on the development of new drugs by using LigandScout software and distance estimation using Jmol. The pharmacophore of the compounds contained three features hydrophobic unit, hydrogen bonding domain and electron donor. The pharmacophore models derived were then filtered using the Lipinski's rule of five criteria and orally bio-available compounds were obtained. Thus, this approach was able to reclaim few leads which had projected inhibitory activity alike to most active compounds with suitable calculated drug-like properties and therefore they could be recommended for further studies.
authors.affiliation: Department of Bioinformatics, Mohammad Ali Jinnah University, Islamabad, Pakistan. hina_nkhan84@hotmail.com
authors.forename: Hina Naz
authors.initials: HN
authors.lastname: Khan
authors.forename: Saima
authors.initials: S
authors.lastname: Kulsoom
authors.forename: Hamid
authors.initials: H
authors.lastname: Rashid
mesh_terms: D000927:Anticonvulsants / Q000737:chemistry* / Q000627:therapeutic use; D015195:Drug Design; D008024:Ligands; D012984:Software
chemical_list: D000927:Anticonvulsants; D008024:Ligands