title: Pharmacophore modelling and synthesis of quinoline-3-carbohydrazide as antioxidants.
abstract: From well-known antioxidants agents, we developed a first pharmacophore model containing four common chemical features: one aromatic ring and three hydrogen bond acceptors. This model served as a template in virtual screening of Maybridge and NCI databases that resulted in selection of sixteen compounds. The selected compounds showed a good antioxidant activity measured by three chemical tests: DPPH radical, OH° radical, and superoxide radical scavenging. New synthetic compounds with a good correlation with the model were prepared, and some of them presented a good antioxidant activity.
authors.affiliation: Laboratoire de Biologie Cellulaire Equipe 2SBP EA4267, 4 Place Saint Jacque 25030 Besançon Cedex, France.
authors.forename: Mustapha
authors.initials: M
authors.lastname: El Bakkali
authors.affiliation: Laboratoire de Chimie Thérapeutique Equipe 2SBP EA4267, 4 Place Saint Jacque 25030 Besançon Cedex, France.
authors.forename: Lhassane
authors.initials: L
authors.lastname: Ismaili
authors.affiliation: Laboratoire de Chimie Thérapeutique Equipe 2SBP EA4267, 4 Place Saint Jacque 25030 Besançon Cedex, France.
authors.forename: Isabelle
authors.initials: I
authors.lastname: Tomassoli
authors.affiliation: Laboratoire de Biologie Cellulaire Equipe 2SBP EA4267, 4 Place Saint Jacque 25030 Besançon Cedex, France.
authors.forename: Laurence
authors.initials: L
authors.lastname: Nicod
authors.affiliation: Laboratoire de Chimie Thérapeutique Equipe 2SBP EA4267, 4 Place Saint Jacque 25030 Besançon Cedex, France.
authors.forename: Marc
authors.initials: M
authors.lastname: Pudlo
authors.affiliation: Laboratoire de Chimie Thérapeutique Equipe 2SBP EA4267, 4 Place Saint Jacque 25030 Besançon Cedex, France.
authors.forename: Bernard
authors.initials: B
authors.lastname: Refouvelet