Novel 1,2,3-Triazole-Based Benzothiazole Derivatives: Efficient Synthesis, DFT, Molecular Docking, and ADMET Studies.

Mirjafary, Zohreh; Mohammad Karbasi, Mahdieh; Hesamzadeh, Parsa; Shaker, Hamid Reza; Amiri, Asghar; Saeidian, Hamid

Mirjafary, Zohreh; Mohammad Karbasi, Mahdieh; Hesamzadeh, Parsa; Shaker, Hamid Reza; Amiri, Asghar; Saeidian, Hamid.

Afiliação

Mirjafary Z; Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran 14515-775, Iran.
Mohammad Karbasi M; Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran 14515-775, Iran.
Hesamzadeh P; Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran 14515-775, Iran.
Shaker HR; Department of Chemistry, Science and Research Branch, Islamic Azad University, Tehran 14515-775, Iran.
Amiri A; Department of Science, Payame Noor University (PNU), Tehran P.O. Box 19395-4697, Iran.
Saeidian H; Department of Science, Payame Noor University (PNU), Tehran P.O. Box 19395-4697, Iran.

Molecules ; 27(23)2022 Dec 05.

Article em En | MEDLINE | ID: mdl-36500647

Assuntos

Antifúngicos; Triazóis; Simulação de Acoplamento Molecular; Triazóis/farmacologia; Triazóis/química; Antifúngicos/farmacologia; Reação de Cicloadição; Relação Estrutura-Atividade; Estrutura Molecular

Palavras-chave

1,2,3-triazole; ADMET study; DFT calculation; click reaction; cycloaddition; molecular docking

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Triazóis / Antifúngicos Idioma: En Revista: Molecules Assunto da revista: BIOLOGIA Ano de publicação: 2022 Tipo de documento: Article País de afiliação: Irã

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