Lipophilic tail modifications of 2-(hydroxymethyl)pyrrolidine scaffold reveal dual sphingosine kinase 1 and 2 inhibitors.

Li, Hao; Sibley, Christopher D; Kharel, Yugesh; Huang, Tao; Brown, Anne M; Wonilowicz, Laura G; Bevan, David R; Lynch, Kevin R; Santos, Webster L

Li, Hao; Sibley, Christopher D; Kharel, Yugesh; Huang, Tao; Brown, Anne M; Wonilowicz, Laura G; Bevan, David R; Lynch, Kevin R; Santos, Webster L.

Afiliação

Li H; Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, United States.
Sibley CD; Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, United States.
Kharel Y; Department of Pharmacology, University of Virginia, Charlottesville, VA 22908, United States.
Huang T; Department of Pharmacology, University of Virginia, Charlottesville, VA 22908, United States.
Brown AM; Department of Biochemistry, Virginia Tech, Blacksburg, VA 24061, United States; Virginia Tech Center for Drug Discovery, Virginia Tech, Blacksburg, VA 24061, United States.
Wonilowicz LG; Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, United States.
Bevan DR; Department of Biochemistry, Virginia Tech, Blacksburg, VA 24061, United States; Virginia Tech Center for Drug Discovery, Virginia Tech, Blacksburg, VA 24061, United States.
Lynch KR; Department of Pharmacology, University of Virginia, Charlottesville, VA 22908, United States.
Santos WL; Department of Chemistry, Virginia Tech, Blacksburg, VA 24061, United States; Department of Biochemistry, Virginia Tech, Blacksburg, VA 24061, United States. Electronic address: santosw@vt.edu.

Bioorg Med Chem ; 30: 115941, 2021 01 15.

Article em En | MEDLINE | ID: mdl-33385956

Assuntos

Inibidores Enzimáticos/farmacologia; Pirrolidinas/farmacologia; Relação Dose-Resposta a Droga; Inibidores Enzimáticos/síntese química; Inibidores Enzimáticos/química; Humanos; Interações Hidrofóbicas e Hidrofílicas; Modelos Moleculares; Estrutura Molecular; Fosfotransferases (Aceptor do Grupo Álcool); Pirrolidinas/síntese química; Pirrolidinas/química; Relação Estrutura-Atividade

Palavras-chave

Inhibitor; Lipophilic binding pocket; PF-543; SphK1; Sphingosine; Sphingosine 1-phosphate; Sphingosine kinase; Structure-activity relationship

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Pirrolidinas / Inibidores Enzimáticos Limite: Humans Idioma: En Revista: Bioorg Med Chem Assunto da revista: BIOQUIMICA / QUIMICA Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Estados Unidos

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