Synthesis, structure elucidation, Hirshfeld surface analysis, DFT, and molecular docking of new 6-bromo-imidazo[4,5-<i>b</i>]pyridine derivatives as potential tyrosyl-tRNA synthetase inhibitors.

Jabri, Zainab; Thiruvalluvar, Aravazhi Amalan; Sghyar, Riham; Mague, Joel T; Sabir, Safia; Rodi, Youssef Kandri; Anouar, El Hassane; Misbahi, Khalid; Sebbar, Nada Kheira; Essassi, El Mokhtar

Synthesis, structure elucidation, Hirshfeld surface analysis, DFT, and molecular docking of new 6-bromo-imidazo[4,5-b]pyridine derivatives as potential tyrosyl-tRNA synthetase inhibitors.

Jabri, Zainab; Thiruvalluvar, Aravazhi Amalan; Sghyar, Riham; Mague, Joel T; Sabir, Safia; Rodi, Youssef Kandri; Anouar, El Hassane; Misbahi, Khalid; Sebbar, Nada Kheira; Essassi, El Mokhtar.

Afiliação

Jabri Z; Laboratory of Applied Organic Chemistry, Faculty of Science and Technology Sidi Mohamed, Ben Abdallah University, Fez, BP, Morocco.
Thiruvalluvar AA; Kunthavai Naacchiyaar Government Arts College for Women (Autonomous), Thanjavur, Tamilnadu, India.
Sghyar R; Laboratory of Applied Organic Chemistry, Faculty of Science and Technology Sidi Mohamed, Ben Abdallah University, Fez, BP, Morocco.
Mague JT; Department of Chemistry, Tulane University New Orleans, LA, USA.
Sabir S; Laboratory of Applied Organic Chemistry, Faculty of Science and Technology Sidi Mohamed, Ben Abdallah University, Fez, BP, Morocco.
Rodi YK; Laboratory of Applied Organic Chemistry, Faculty of Science and Technology Sidi Mohamed, Ben Abdallah University, Fez, BP, Morocco.
Anouar EH; Department of Chemistry, College of Science and Humanities in Al-Kharj, Prince Sattam Bin Abdulaziz University, Saudi Arabia.
Misbahi K; Laboratory of Applied Organic Chemistry, Faculty of Science and Technology Sidi Mohamed, Ben Abdallah University, Fez, BP, Morocco.
Sebbar NK; Laboratory of Organic and Physical Chemistry, Applied Bioorganic Chemistry Team, Faculty of Sciences, Ibn Zohr University, Agadir, Morocco.
Essassi EM; Laboratory of Heterocyclic Organic Chemistry, Mohammed V University in Rabat, Rabat, Morocco.

J Biomol Struct Dyn ; 41(21): 12347-12362, 2023.

Article em En | MEDLINE | ID: mdl-36744539

Assuntos

Tirosina-tRNA Ligase; Simulação de Acoplamento Molecular; Staphylococcus aureus; Sítios de Ligação; Piridinas/farmacologia; Estrutura Molecular

Palavras-chave

DFT; Hirshfeld surface; Imidazo[4,5-b]pyridine; alkylation; condensation; molecular docking

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Tirosina-tRNA Ligase Idioma: En Ano de publicação: 2023 Tipo de documento: Article

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