title: Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294.
abstract: A new bioactive compound of the N-acylhydrazone class, LASSBio-294, was shown to produce a cardioinotropic effect and vasodilation. In this study, we report the structure-based drug metabolism prediction, biosynthesis and identification of the major mammalian metabolite of LASSBio-294.
authors.affiliation: Laboratório de Bioconversão, Faculdade de Farmácia, Universidade Federal de Goiás, Goiânia, GO, Brazil.
authors.forename: Emmanuel O
authors.initials: EO
authors.lastname: Carneiro
authors.forename: Carolina H
authors.initials: CH
authors.lastname: Andrade
authors.forename: Rodolpho C
authors.initials: RC
authors.lastname: Braga
authors.forename: Andréa C B
authors.initials: AC
authors.lastname: Tôrres
authors.forename: Rosângela O
authors.initials: RO
authors.lastname: Alves
authors.forename: Luciano M
authors.initials: LM
authors.lastname: Lião
authors.forename: Carlos A M
authors.initials: CA
authors.lastname: Fraga
authors.forename: Eliezer J
authors.initials: EJ
authors.lastname: Barreiro
authors.forename: Valéria
authors.initials: V
authors.lastname: de Oliveira
mesh_terms: D000818:Animals; D052982:Beauveria / Q000378:metabolism; D002316:Cardiotonic Agents / Q000378:metabolism*; D004285:Dogs; D006835:Hydrazones / Q000378:metabolism*; D009682:Magnetic Resonance Spectroscopy; D015394:Molecular Structure; D013876:Thiophenes / Q000378:metabolism*; D014664:Vasodilation / Q000187:drug effects*
chemical_list: D002316:Cardiotonic Agents; D006835:Hydrazones; C439284:LASSBio 294; D013876:Thiophenes