Literature DB >> 17352460

Self-organizing maps for identification of new inhibitors of P-glycoprotein.

Dominik Kaiser1, Lothar Terfloth, Stephan Kopp, Jan Schulz, Randolf de Laet, Peter Chiba, Gerhard F Ecker, Johann Gasteiger.   

Abstract

Self-organizing maps were trained to separate high- and low-active propafenone-type inhibitors of P-glycoprotein. The trained maps were subsequently used to identify highly active compounds in a virtual screen of the SPECS compound library.

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Year:  2007        PMID： 17352460     DOI： 10.1021/jm060604z

Source DB:  PubMed          Journal:  J Med Chem        ISSN： 0022-2623            Impact factor:   7.446


  8 in total

1.  Discriminating of HMG-CoA reductase inhibitors and decoys using self-organizing maps.

Authors:  Zhi Wang; Aixia Yan
Journal:  Mol Divers       Date:  2010-11-12       Impact factor: 2.943

2.  Multi-task generative topographic mapping in virtual screening.

Authors:  Arkadii Lin; Dragos Horvath; Gilles Marcou; Bernd Beck; Alexandre Varnek
Journal:  J Comput Aided Mol Des       Date:  2019-02-09       Impact factor: 3.686

3.  A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields.

Authors:  Fabio Broccatelli; Emanuele Carosati; Annalisa Neri; Maria Frosini; Laura Goracci; Tudor I Oprea; Gabriele Cruciani
Journal:  J Med Chem       Date:  2011-02-22       Impact factor: 7.446

4.  Annotating Human P-Glycoprotein Bioassay Data.

Authors:  Barbara Zdrazil; Marta Pinto; Poongavanam Vasanthanathan; Antony J Williams; Linda Zander Balderud; Ola Engkvist; Christine Chichester; Anne Hersey; John P Overington; Gerhard F Ecker
Journal:  Mol Inform       Date:  2012-08-07       Impact factor: 3.353

5.  Predicting P-glycoprotein-mediated drug transport based on support vector machine and three-dimensional crystal structure of P-glycoprotein.

Authors:  Zsolt Bikadi; Istvan Hazai; David Malik; Katalin Jemnitz; Zsuzsa Veres; Peter Hari; Zhanglin Ni; Tip W Loo; David M Clarke; Eszter Hazai; Qingcheng Mao
Journal:  PLoS One       Date:  2011-10-04       Impact factor: 3.240

6.  The ChEMBL database in 2017.

Authors:  Anna Gaulton; Anne Hersey; Michał Nowotka; A Patrícia Bento; Jon Chambers; David Mendez; Prudence Mutowo; Francis Atkinson; Louisa J Bellis; Elena Cibrián-Uhalte; Mark Davies; Nathan Dedman; Anneli Karlsson; María Paula Magariños; John P Overington; George Papadatos; Ines Smit; Andrew R Leach
Journal:  Nucleic Acids Res       Date:  2016-11-28       Impact factor: 16.971

7.  Identification of biomarkers for genotyping Aspergilli using non-linear methods for clustering and classification.

Authors:  Irene Kouskoumvekaki; Zhiyong Yang; Svava O Jónsdóttir; Lisbeth Olsson; Gianni Panagiotou
Journal:  BMC Bioinformatics       Date:  2008-01-28       Impact factor: 3.169

8.  Empowering pharmacoinformatics by linked life science data.

Authors:  Daria Goldmann; Barbara Zdrazil; Daniela Digles; Gerhard F Ecker
Journal:  J Comput Aided Mol Des       Date:  2016-11-09       Impact factor: 4.179
  8 in total

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