Binding of quinazolinones to c-KIT G-quadruplex; an interplay between hydrogen bonding and &#960;-&#960; stacking.

Moghaddam, Kiana Gholamjani; de Vries, Alex H; Marrink, Siewert J; Faraji, Shirin

Binding of quinazolinones to c-KIT G-quadruplex; an interplay between hydrogen bonding and π-π stacking.

Moghaddam, Kiana Gholamjani; de Vries, Alex H; Marrink, Siewert J; Faraji, Shirin.

Afiliação

Moghaddam KG; Zernike Institute for Advanced Materials, University of Groningen, Groningen, The Netherlands.
de Vries AH; Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen, Groningen, The Netherlands.
Marrink SJ; Groningen Biomolecular Sciences and Biotechnology Institute & Zernike Institute for Advanced Materials, University of Groningen, Groningen, The Netherlands.
Faraji S; Zernike Institute for Advanced Materials, University of Groningen, Groningen, The Netherlands. Electronic address: s.s.faraji@rug.nl.

Biophys Chem ; 253: 106220, 2019 10.

Article em En | MEDLINE | ID: mdl-31302375

Assuntos

Proteínas Proto-Oncogênicas c-kit/química; Quinazolinonas/química; Termodinâmica; Sítios de Ligação; Quadruplex G; Ligação de Hidrogênio; Ligantes; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Estrutura Molecular

Palavras-chave

G-quadruplex; Hydrogen bonding; MD simulation; MM-PBSA; Quinazolinone derivatives; π-π stacking

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Termodinâmica / Proteínas Proto-Oncogênicas c-kit / Quinazolinonas Idioma: En Ano de publicação: 2019 Tipo de documento: Article

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