Novel 1,2,3-Triazole Derivatives as Mimics of Steroidal System-Synthesis, Crystal Structures Determination, Hirshfeld Surfaces Analysis and Molecular Docking.

Dasko, Mateusz; Dolega, Anna; Siedzielnik, Magdalena; Biernacki, Karol; Ciupak, Olga; Rachon, Janusz; Demkowicz, Sebastian

Dasko, Mateusz; Dolega, Anna; Siedzielnik, Magdalena; Biernacki, Karol; Ciupak, Olga; Rachon, Janusz; Demkowicz, Sebastian.

Afiliação

Dasko M; Department of Inorganic Chemistry, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland.
Dolega A; Department of Inorganic Chemistry, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland.
Siedzielnik M; Department of Inorganic Chemistry, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland.
Biernacki K; Department of Organic Chemistry, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland.
Ciupak O; Department of Organic Chemistry, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland.
Rachon J; Department of Organic Chemistry, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland.
Demkowicz S; Department of Organic Chemistry, Faculty of Chemistry, Gdansk University of Technology, Narutowicza 11/12, 80-233 Gdansk, Poland.

Molecules ; 26(13)2021 Jul 02.

Article em En | MEDLINE | ID: mdl-34279404

Assuntos

Inibidores da Aromatase/síntese química; Simulação de Acoplamento Molecular; Triazóis/síntese química; Aromatase/química; Aromatase/metabolismo; Inibidores da Aromatase/farmacologia; Domínio Catalítico; Cristalização; Halogênios/química; Fenóis/química; Ligação Proteica; Triazóis/farmacologia

Palavras-chave

Hirshfeld surface; crystal structures; drug design; hormone analogs; molecular docking; triazoles

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Triazóis / Inibidores da Aromatase / Simulação de Acoplamento Molecular Idioma: En Revista: Molecules Ano de publicação: 2021 Tipo de documento: Article

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