Inhibition of Urease, a Ni-Enzyme: The Reactivity of a Key Thiol With Mono- and Di-Substituted Catechols Elucidated by Kinetic, Structural, and Theoretical Studies.

Mazzei, Luca; Contaldo, Umberto; Musiani, Francesco; Cianci, Michele; Bagnolini, Greta; Roberti, Marinella; Ciurli, Stefano

Mazzei, Luca; Contaldo, Umberto; Musiani, Francesco; Cianci, Michele; Bagnolini, Greta; Roberti, Marinella; Ciurli, Stefano.

Afiliação

Mazzei L; Department of Pharmacy and Biotechnology (FaBiT), University of Bologna, Via Belmeloro 6, 40126, Bologna, Italy.
Contaldo U; Laboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology (FaBiT), University of Bologna, Via Giuseppe Fanin 40, 40127, Bologna, Italy.
Musiani F; Department of Pharmacy and Biotechnology (FaBiT), University of Bologna, Via Belmeloro 6, 40126, Bologna, Italy.
Cianci M; Laboratory of Chemistry and Biology of Metals, Université Grenoble Alpes, CEA, CNRS, 17 Avenue des Martyrs, 38000, Grenoble, France.
Bagnolini G; Department of Pharmacy and Biotechnology (FaBiT), University of Bologna, Via Belmeloro 6, 40126, Bologna, Italy.
Roberti M; Laboratory of Bioinorganic Chemistry, Department of Pharmacy and Biotechnology (FaBiT), University of Bologna, Via Giuseppe Fanin 40, 40127, Bologna, Italy.
Ciurli S; Department of Agricultural, Food and Environmental Sciences, Polytechnic University of Marche, Via Brecce Bianche, 60131, Ancona, Italy.

Angew Chem Int Ed Engl ; 60(11): 6029-6035, 2021 03 08.

Article em En | MEDLINE | ID: mdl-33245574

Assuntos

Catecóis/farmacologia; Teoria da Densidade Funcional; Inibidores Enzimáticos/farmacologia; Compostos de Sulfidrila/farmacologia; Urease/antagonistas & inibidores; Catecóis/química; Cristalografia por Raios X; Inibidores Enzimáticos/síntese química; Inibidores Enzimáticos/química; Cinética; Modelos Moleculares; Estrutura Molecular; Sporosarcina/enzimologia; Compostos de Sulfidrila/química; Urease/metabolismo

Palavras-chave

catechols; enzyme inhibition; nickel; quantum-mechanical calculations; urease

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Compostos de Sulfidrila / Urease / Catecóis / Inibidores Enzimáticos / Teoria da Densidade Funcional Idioma: En Revista: Angew Chem Int Ed Engl Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Itália País de publicação: Alemanha

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