Literature DB >> 20488703

Structure-based prediction and biosynthesis of the major mammalian metabolite of the cardioactive prototype LASSBio-294.

Emmanuel O Carneiro1, Carolina H Andrade, Rodolpho C Braga, Andréa C B Tôrres, Rosângela O Alves, Luciano M Lião, Carlos A M Fraga, Eliezer J Barreiro, Valéria de Oliveira.   

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. Copyright 2010 Elsevier Ltd. All rights reserved.

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Year:  2010        PMID: 20488703     DOI: 10.1016/j.bmcl.2010.04.073

Source DB:  PubMed          Journal:  Bioorg Med Chem Lett        ISSN: 0960-894X            Impact factor:   2.823


  4 in total

1.  Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone.

Authors:  Rodolpho C Braga; Vinícius M Alves; Carlos A M Fraga; Eliezer J Barreiro; Valéria de Oliveira; Carolina H Andrade
Journal:  J Mol Model       Date:  2011-09-08       Impact factor: 1.810

2.  Tuning HERG out: antitarget QSAR models for drug development.

Authors:  Rodolpho C Braga; Vinicius M Alves; Meryck F B Silva; Eugene Muratov; Denis Fourches; Alexander Tropsha; Carolina H Andrade
Journal:  Curr Top Med Chem       Date:  2014       Impact factor: 3.295

3.  In silico repositioning-chemogenomics strategy identifies new drugs with potential activity against multiple life stages of Schistosoma mansoni.

Authors:  Bruno J Neves; Rodolpho C Braga; José C B Bezerra; Pedro V L Cravo; Carolina H Andrade
Journal:  PLoS Negl Trop Dis       Date:  2015-01-08

4.  Effect of S-Se Bioisosteric Exchange on Affinity and Intrinsic Efficacy of Novel N-acylhydrazone Derivatives at the Adenosine A2A Receptor.

Authors:  Júlia Galvez Bulhões Pedreira; Rafaela Ribeiro Silva; François G Noël; Eliezer J Barreiro
Journal:  Molecules       Date:  2021-12-04       Impact factor: 4.411

  4 in total

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