Comparison of force fields to study the zinc-finger containing protein NPL4, a target for disulfiram in cancer therapy.

Scrima, Simone; Tiberti, Matteo; Ryde, Ulf; Lambrughi, Matteo; Papaleo, Elena

Scrima, Simone; Tiberti, Matteo; Ryde, Ulf; Lambrughi, Matteo; Papaleo, Elena.

Afiliação

Scrima S; Cancer Structural Biology, Danish Cancer Society Research Center, 2100 Copenhagen, Denmark; Cancer Systems Biology, Section for Bioinformatics, Department of Health and Technology, Technical University of Denmark, 2800 Lyngby, Denmark.
Tiberti M; Cancer Structural Biology, Danish Cancer Society Research Center, 2100 Copenhagen, Denmark.
Ryde U; Division of Theoretical Chemistry, Lund University, Chemical Centre, P. O. Box 124, SE-221 00 Lund, Sweden.
Lambrughi M; Cancer Structural Biology, Danish Cancer Society Research Center, 2100 Copenhagen, Denmark.
Papaleo E; Cancer Structural Biology, Danish Cancer Society Research Center, 2100 Copenhagen, Denmark; Cancer Systems Biology, Section for Bioinformatics, Department of Health and Technology, Technical University of Denmark, 2800 Lyngby, Denmark. Electronic address: elenap@cancer.dk.

Biochim Biophys Acta Proteins Proteom ; 1871(4): 140921, 2023 07 01.

Article em En | MEDLINE | ID: mdl-37230374

Assuntos

Dissulfiram; Neoplasias; Humanos; Dissulfiram/uso terapêutico; Cobre/química; Neoplasias/tratamento farmacológico; Proteínas; Zinco/química; Íons/química; Íons/metabolismo

Palavras-chave

Copper; Metal coordination; Metal ions; Molecular dynamics; Quantum mechanics

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Dissulfiram / Neoplasias Idioma: En Ano de publicação: 2023 Tipo de documento: Article

Texto completo

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PubMed Links

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Dissulfiram / Neoplasias Idioma: En Ano de publicação: 2023 Tipo de documento: Article