A DFT study on non-enzymatic degradations of anti-tuberculosis drug isoniazid.

Pornin, Wirachai; Phatchana, Ratchanee; Somboon, Titikan; Ruangpornvisuti, Vithaya; Sang-Aroon, Wichien

Pornin, Wirachai; Phatchana, Ratchanee; Somboon, Titikan; Ruangpornvisuti, Vithaya; Sang-Aroon, Wichien.

Afiliação

Pornin W; Department of Chemistry, Faculty of Engineering, Rajamangala University of Technology Isan, KhonKaen Campus, KhonKaen, 40000, Thailand.
Phatchana R; Department of Chemistry, Faculty of Engineering, Rajamangala University of Technology Isan, KhonKaen Campus, KhonKaen, 40000, Thailand.
Somboon T; Department of Chemistry, Faculty of Engineering, Rajamangala University of Technology Isan, KhonKaen Campus, KhonKaen, 40000, Thailand.
Ruangpornvisuti V; Supramolecular Chemistry Research Unit, Department of Chemistry, Faculty of Science, Chulalongkorn University, Pathumwan, Bangkok, 10320, Thailand.
Sang-Aroon W; Department of Chemistry, Faculty of Engineering, Rajamangala University of Technology Isan, KhonKaen Campus, KhonKaen, 40000, Thailand. wichien.sa@rmuti.ac.th.

J Mol Model ; 29(9): 291, 2023 Aug 24.

Article em En | MEDLINE | ID: mdl-37615715

Assuntos

Antituberculosos; Isoniazida; Teoria da Densidade Funcional; Hidrólise; Cinética

Palavras-chave

Biodegradation; DFT; Degradation; Hydrolysis; INH; Isoniazid; Nucleophile; Pharmaceutical co-crystal; TB; Tautomers; Tuberculosis

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Isoniazida / Antituberculosos Idioma: En Revista: J Mol Model Assunto da revista: BIOLOGIA MOLECULAR Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Tailândia

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