Theoretical evaluation of EGFR kinase inhibition and toxicity of di-indol-3-yl disulphides with anti-cancer potency.

Zolek, Teresa; Trzeciak, Aleksandra; Maciejewska, Dorota

Zolek, Teresa; Trzeciak, Aleksandra; Maciejewska, Dorota.

Afiliação

Zolek T; Department of Organic Chemistry, Faculty of Pharmacy, Medical University of Warsaw, Warsaw, Poland.
Trzeciak A; Department of Organic Chemistry, Faculty of Pharmacy, Medical University of Warsaw, Warsaw, Poland.
Maciejewska D; Department of Organic Chemistry, Faculty of Pharmacy, Medical University of Warsaw, Warsaw, Poland.

J Biomol Struct Dyn ; 40(2): 622-634, 2022 02.

Article em En | MEDLINE | ID: mdl-32880212

Assuntos

Receptores ErbB; Simulação de Dinâmica Molecular; Sítios de Ligação; Dissulfetos; Receptores ErbB/química; Ligantes; Simulação de Acoplamento Molecular; Inibidores de Proteínas Quinases/química; Inibidores de Proteínas Quinases/farmacologia

Palavras-chave

Di-indol-3-yl disulphides; epidermal growth factor receptor inhibition; molecular dynamics simulation; toxicity analysis and drug-likeness

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Simulação de Dinâmica Molecular / Receptores ErbB Tipo de estudo: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Polônia

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