Discovery of a Novel Inhibitor of the Hedgehog Signaling Pathway through Cell-based Compound Discovery and Target Prediction.

Kremer, Lea; Schultz-Fademrecht, Carsten; Baumann, Matthias; Habenberger, Peter; Choidas, Axel; Klebl, Bert; Kordes, Susanne; Schöler, Hans R; Sterneckert, Jared; Ziegler, Slava; Schneider, Gisbert; Waldmann, Herbert

Kremer, Lea; Schultz-Fademrecht, Carsten; Baumann, Matthias; Habenberger, Peter; Choidas, Axel; Klebl, Bert; Kordes, Susanne; Schöler, Hans R; Sterneckert, Jared; Ziegler, Slava; Schneider, Gisbert; Waldmann, Herbert.

Afiliação

Kremer L; Abteilung für Chemische Biologie, Max-Planck-Institut für Molekulare Physiologie, Otto-Hahn-Straße 11, 44227, Dortmund, Germany.
Schultz-Fademrecht C; Fakultät für Chemie und Chemische Biologie, Technische Universität Dortmund, Otto-Hahn-Straße 6, 44227, Dortmund, Germany.
Baumann M; Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany.
Habenberger P; Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany.
Choidas A; Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany.
Klebl B; Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany.
Kordes S; Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany.
Schöler HR; Lead Discovery Center GmbH, Otto-Hahn-Straße 15, 44227, Dortmund, Germany.
Sterneckert J; Abteilung Zell- und Entwicklungsbiologie, Max-Planck-Institut für Molekulare Biomedizin, Röntgenstraße 20, 48149, Münster, Germany.
Ziegler S; Abteilung Zell- und Entwicklungsbiologie, Max-Planck-Institut für Molekulare Biomedizin, Röntgenstraße 20, 48149, Münster, Germany.
Schneider G; Abteilung Zell- und Entwicklungsbiologie, Max-Planck-Institut für Molekulare Biomedizin, Röntgenstraße 20, 48149, Münster, Germany.
Waldmann H; DFG-Center for Regenerative Therapies, Cluster of Excellence, Technische Universität Dresden, Fetscherstr. 105, 01307, Dresden, Germany.

Angew Chem Int Ed Engl ; 56(42): 13021-13025, 2017 10 09.

Article em En | MEDLINE | ID: mdl-28833911

Assuntos

Proteínas Hedgehog/metabolismo; Imidazóis/química; Animais; Sítios de Ligação; Linhagem Celular; Descoberta de Drogas; Células HEK293; Proteínas Hedgehog/antagonistas & inibidores; Humanos; Imidazóis/metabolismo; Imidazóis/farmacologia; Camundongos; Simulação de Acoplamento Molecular; Células NIH 3T3; Osteoblastos/citologia; Osteoblastos/efeitos dos fármacos; Osteoblastos/metabolismo; Domínios Proteicos; Pirazóis/química; Transdução de Sinais/efeitos dos fármacos; Receptor Smoothened/antagonistas & inibidores; Receptor Smoothened/metabolismo; Alcaloides de Veratrum/química; Alcaloides de Veratrum/metabolismo

Palavras-chave

chemoinformatics; hedgehog signaling; inhibitors; target identification; target prediction

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Proteínas Hedgehog / Imidazóis Idioma: En Ano de publicação: 2017 Tipo de documento: Article

Texto completo

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XML

PubMed Links

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Proteínas Hedgehog / Imidazóis Idioma: En Ano de publicação: 2017 Tipo de documento: Article