New active drugs against liver stages of Plasmodium predicted by molecular topology.

Antimicrobial Agents and Chemotherapy
Nassira MahmoudiDominique Mazier

Abstract

We conducted a quantitative structure-activity relationship (QSAR) study based on a database of 127 compounds previously tested against the liver stage of Plasmodium yoelii in order to develop a model capable of predicting the in vitro antimalarial activities of new compounds. Topological indices were used as structural descriptors, and their relation to antimalarial activity was determined by using linear discriminant analysis. A topological model consisting of two discriminant functions was created. The first function discriminated between active and inactive compounds, and the second identified the most active among the active compounds. The model was then applied sequentially to a large database of compounds with unknown activity against liver stages of Plasmodium. Seventeen drugs that were predicted to be active or inactive were selected for testing against the hepatic stage of P. yoelii in vitro. Antiretroviral, antifungal, and cardiotonic drugs were found to be highly active (nanomolar 50% inhibitory concentration values), and two ionophores completely inhibited parasite development. The 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay was performed on hepatocyte cultures for all compounds, and no...Continue Reading

References

Sep 1, 1988·The American Journal of Tropical Medicine and Hygiene·E StahelM Gentilini
Oct 1, 1983·Journal of Pharmaceutical Sciences·L B Kier, L H Hall
Mar 1, 1995·Journal of Chemical Information and Computer Sciences·J GálvezR Soler
Dec 1, 1993·The Journal of Infectious Diseases·M MarussigD Mazier
Oct 1, 1996·Journal of Molecular Graphics·J GálvezL Popa
Aug 28, 1999·Journal of Medicinal Chemistry·J V de Julián-OrtizC Gimeno-Cardona
Sep 15, 2000·Bioorganic & Medicinal Chemistry Letters·C de Gregorio AlapontM D García
Mar 30, 2001·Journal of Chemical Information and Computer Sciences·R K MishraJ Galvez
Aug 31, 2001·Clinical and Diagnostic Laboratory Immunology·T AdakV P Sharma
Jul 25, 2003·Antimicrobial Agents and Chemotherapy·Nassira MahmoudiFrancis Derouin
Dec 3, 2003·The Journal of Antimicrobial Chemotherapy·Angeles García-GarcíaRafael Borrás
Jul 3, 2004·The Journal of Organic Chemistry·Michael H Abraham, Yuan H Zhao
Sep 21, 2004·The Journal of Infectious Diseases·Douglas S WalshThomas G Brewer
Nov 6, 2004·The Journal of Infectious Diseases·Tina S Skinner-AdamsKatherine T Andrews
Jan 18, 2006·The Journal of Antimicrobial Chemotherapy·Nassira MahmoudiRamón García-Domenech

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Citations

Jun 11, 2009·Die Naturwissenschaften·José María AmigóVincent M Villar
Apr 21, 2012·Journal of Chemical Information and Modeling·María Gálvez-LlompartLemont B Kier
Nov 30, 2011·Journal of Medicinal Chemistry·Tiago RodriguesFrancisca Lopes
Oct 31, 2009·Nature Reviews. Drug Discovery·Dominique MazierGeorges Snounou
Nov 27, 2008·The Journal of Infectious Diseases·Charlotte V HobbsPhotini Sinnis
Jul 21, 2010·Antimicrobial Agents and Chemotherapy·Dhruv Panchal, Purnima Bhanot
Mar 25, 2011·Future Medicinal Chemistry·Tiago RodriguesFrancisca Lopes
Jul 1, 2011·Molecular Diversity·María Gálvez-LlompartRamón García-Domenech
Apr 4, 2012·Expert Opinion on Drug Discovery·Jorge GálvezRamón García-Domenech
Aug 1, 2010·Expert Opinion on Drug Discovery·Kunal Roy, Probir Kumar Ojha
Jan 8, 2013·Expert Opinion on Drug Discovery·Jorge GalvezRamon Garcia-Domenech
Jan 24, 2014·Drug Discovery Today. Technologies·Jorge GalvezRamon Garcia-Domenech
Sep 22, 2010·Bioorganic & Medicinal Chemistry·Deniz TasdemirNéstor M Carballeira
May 25, 2010·Experimental Parasitology·Ricardo Leitao, Ana Rodriguez
Jun 13, 2015·FEMS Yeast Research·Abraham Abera GebreYoshikazu Ohya
Jul 9, 2014·Bioorganic & Medicinal Chemistry·Cátia RamalheteMaria-José U Ferreira
Oct 1, 2008·Current Opinion in Microbiology·J Carl Craft
Oct 3, 2014·PloS One·Agnieszka A ReligaAndrew P Waters
May 8, 2015·PloS One·David J SullivanMartin N Martinov
May 31, 2016·Expert Opinion on Drug Discovery·Joachim Müller, Andrew Hemphill
Feb 20, 2019·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Inma García-PereiraRamón García-Domenech
May 11, 2019·Expert Opinion on Drug Discovery·Carolina L Bellera, Alan Talevi
Sep 1, 2009·Expert Review of Clinical Pharmacology·Kesara Na-Bangchang
Aug 5, 2017·Frontiers in Cellular and Infection Microbiology·Marta MachadoMiguel Prudêncio
Aug 1, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Diana FontinhaMiguel Prudêncio

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