Computational Modeling-Based Discovery of Novel Classes of Anti-Inflammatory Drugs That Target Lanthionine Synthetase C-Like Protein 2

Pinyi Lu; Raquel Hontecillas; William T. Horne; Adria Carbo; Monica Viladomiu; Mireia Pedragosa; David R. Bevan; Stephanie N. Lewis; Josep Bassaganya-Riera

doi:10.1371/journal.pone.0034643

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Peer-reviewed

Research Article

Computational Modeling-Based Discovery of Novel Classes of Anti-Inflammatory Drugs That Target Lanthionine Synthetase C-Like Protein 2

Pinyi Lu ,

* E-mail: lpy0526@vbi.vt.edu (PL); jbassaga@vbi.vt.edu (JBR)

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Raquel Hontecillas,

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
William T. Horne,

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Adria Carbo,

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Monica Viladomiu,

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Mireia Pedragosa,

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
David R. Bevan,

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Department of Biochemistry, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Stephanie N. Lewis,

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America, Department of Biochemistry, Virginia Tech, Blacksburg, Virginia, United States of America
⨯
Josep Bassaganya-Riera

* E-mail: lpy0526@vbi.vt.edu (PL); jbassaga@vbi.vt.edu (JBR)

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America
⨯

Computational Modeling-Based Discovery of Novel Classes of Anti-Inflammatory Drugs That Target Lanthionine Synthetase C-Like Protein 2

Pinyi Lu,
Raquel Hontecillas,
William T. Horne,
Adria Carbo,
Monica Viladomiu,
Mireia Pedragosa,
David R. Bevan,
Stephanie N. Lewis,
Josep Bassaganya-Riera

Published: April 11, 2012
https://doi.org/10.1371/journal.pone.0034643

About the Authors

Pinyi Lu

* E-mail: lpy0526@vbi.vt.edu (PL); jbassaga@vbi.vt.edu (JBR)

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Nutritional Immunology and Molecular Medicine Laboratory, Virginia Bioinformatics Institute, Virginia Tech, Blacksburg, Virginia, United States of America

Raquel Hontecillas

William T. Horne

Adria Carbo

Monica Viladomiu

Mireia Pedragosa

David R. Bevan

Affiliations Center for Modeling Immunity to Enteric Pathogens, Virginia Tech, Blacksburg, Virginia, United States of America, Department of Biochemistry, Virginia Tech, Blacksburg, Virginia, United States of America

Stephanie N. Lewis

Josep Bassaganya-Riera

* E-mail: lpy0526@vbi.vt.edu (PL); jbassaga@vbi.vt.edu (JBR)

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: PL RH WH MP DB JBR. Performed the experiments: PL RH WH AC MV MP SL JBR. Analyzed the data: PL RH AC DB SL JBR. Contributed reagents/materials/analysis tools: PL RH WH AC MV MP JBR. Wrote the paper: PL DB SL JBR.

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Colon
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Inflammatory bowel disease
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Macrophages
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Spleen
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Inflammation
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Drug discovery
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Mouse models
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Protein structure databases
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