Targeting in silico GPCR conformations with ultra-large library screening for hit discovery.

Sala, D; Batebi, H; Ledwitch, K; Hildebrand, P W; Meiler, J

Sala, D; Batebi, H; Ledwitch, K; Hildebrand, P W; Meiler, J.

Afiliação

Sala D; Institute of Drug Discovery, Faculty of Medicine, University of Leipzig, 04103 Leipzig, Germany.
Batebi H; Institute of Medical Physics and Biophysics, Faculty of Medicine, University of Leipzig, 04103 Leipzig, Germany.
Ledwitch K; Center for Structural Biology, Vanderbilt University, Nashville, TN 37240, USA; Department of Chemistry, Vanderbilt University, Nashville, TN 37235, USA.
Hildebrand PW; Institute of Medical Physics and Biophysics, Faculty of Medicine, University of Leipzig, 04103 Leipzig, Germany.
Meiler J; Institute of Drug Discovery, Faculty of Medicine, University of Leipzig, 04103 Leipzig, Germany; Center for Structural Biology, Vanderbilt University, Nashville, TN 37240, USA; Department of Chemistry, Vanderbilt University, Nashville, TN 37235, USA. Electronic address: jens@meilerlab.org.

Trends Pharmacol Sci ; 44(3): 150-161, 2023 03.

Article em En | MEDLINE | ID: mdl-36669974

Assuntos

Descoberta de Drogas; Receptores Acoplados a Proteínas G; Humanos; Receptores Acoplados a Proteínas G/metabolismo; Conformação Proteica; Ligantes

Palavras-chave

AlphaFold; GPCR; biased ligands; drug discovery; structure-based drug discovery; ultra-large library

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Receptores Acoplados a Proteínas G / Descoberta de Drogas Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Revista: Trends Pharmacol Sci Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Alemanha

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