Design, synthesis, molecular docking, density functional theory and antimicrobial studies of some novel benzoxazole derivatives as structural bioisosteres of nucleotides.

Erol, Meryem; Celik, Ismail; Temiz-Arpaci, Ozlem; Kaynak-Onurdag, Fatma; Okten, Suzan

Erol, Meryem; Celik, Ismail; Temiz-Arpaci, Ozlem; Kaynak-Onurdag, Fatma; Okten, Suzan.

Afiliação

Erol M; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Erciyes University, Kayseri, Turkey.
Celik I; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Erciyes University, Kayseri, Turkey.
Temiz-Arpaci O; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Ankara University, Ankara, Turkey.
Kaynak-Onurdag F; Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Ankara University, Ankara, Turkey.
Okten S; Faculty of Pharmacy, Department of Pharmaceutical Microbiology, Trakya University, Edirne, Turkey.

J Biomol Struct Dyn ; 39(9): 3080-3091, 2021 Jun.

Article em En | MEDLINE | ID: mdl-32323628

Assuntos

Anti-Infecciosos; Benzoxazóis; Anti-Infecciosos/farmacologia; Benzoxazóis/farmacologia; Teoria da Densidade Funcional; Simulação de Acoplamento Molecular; Nucleotídeos; Staphylococcus aureus

Palavras-chave

ADME prediction; DFT; antimicrobial activity; benzoxazole; molecular docking

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Benzoxazóis / Anti-Infecciosos Tipo de estudo: Prognostic_studies Idioma: En Revista: J Biomol Struct Dyn Ano de publicação: 2021 Tipo de documento: Article

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