Structural, Biochemical, and Computational Studies Reveal the Mechanism of Selective Aldehyde Dehydrogenase 1A1 Inhibition by Cytotoxic Duocarmycin Analogues.

Koch, Maximilian F; Harteis, Sabrina; Blank, Iris D; Pestel, Galina; Tietze, Lutz F; Ochsenfeld, Christian; Schneider, Sabine; Sieber, Stephan A

Koch, Maximilian F; Harteis, Sabrina; Blank, Iris D; Pestel, Galina; Tietze, Lutz F; Ochsenfeld, Christian; Schneider, Sabine; Sieber, Stephan A.

Afiliação

Koch MF; Center for Integrated Protein Science Munich CIPSMDepartment of Chemistry, Technische Universität München, Lichtenbergstrasse 4, 85747 Garching (Germany).
Harteis S; Center for Integrated Protein Science Munich CIPSMDepartment of Chemistry, Technische Universität München, Lichtenbergstrasse 4, 85747 Garching (Germany).
Blank ID; Center for Integrated Protein Science Munich CIPSMDepartment of Chemistry, University of Munich, Butenandtstrasse 7 (C), 81377 München (Germany).
Pestel G; Institute of Organic and Biomolecular Chemistry, Georg-August-Universität Göttingen, Tammannstrasse 2, 37033 Göttingen (Germany).
Tietze LF; Institute of Organic and Biomolecular Chemistry, Georg-August-Universität Göttingen, Tammannstrasse 2, 37033 Göttingen (Germany).
Ochsenfeld C; Center for Integrated Protein Science Munich CIPSMDepartment of Chemistry, University of Munich, Butenandtstrasse 7 (C), 81377 München (Germany).
Schneider S; Center for Integrated Protein Science Munich CIPSMDepartment of Chemistry, Technische Universität München, Lichtenbergstrasse 4, 85747 Garching (Germany). sabine.schneider@mytum.de.
Sieber SA; Center for Integrated Protein Science Munich CIPSMDepartment of Chemistry, Technische Universität München, Lichtenbergstrasse 4, 85747 Garching (Germany). stephan.sieber@tum.de.

Angew Chem Int Ed Engl ; 54(46): 13550-4, 2015 Nov 09.

Article em En | MEDLINE | ID: mdl-26373694

Assuntos

Aldeído Desidrogenase/antagonistas & inibidores; Antibióticos Antineoplásicos/farmacologia; Inibidores Enzimáticos/farmacologia; Indóis/farmacologia; Aldeído Desidrogenase/metabolismo; Família Aldeído Desidrogenase 1; Antibióticos Antineoplásicos/química; Cristalografia por Raios X; Duocarmicinas; Inibidores Enzimáticos/química; Humanos; Indóis/química; Simulação de Dinâmica Molecular; Estrutura Molecular; Pirrolidinonas/química; Pirrolidinonas/farmacologia; Retinal Desidrogenase; Relação Estrutura-Atividade

Palavras-chave

ALDH1A1; duocarmycin; enzymes; inhibitors; protein structure

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Aldeído Desidrogenase / Inibidores Enzimáticos / Indóis / Antibióticos Antineoplásicos Limite: Humans Idioma: En Revista: Angew Chem Int Ed Engl Ano de publicação: 2015 Tipo de documento: Article

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