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Synthesis, 3D-QSAR analysis and biological evaluation of quinoxaline 1,4-di-N-oxide derivatives as antituberculosis agents.
Pan, Yuanhu; Li, Panpan; Xie, Shuyu; Tao, Yanfei; Chen, Dongmei; Dai, Menghong; Hao, Haihong; Huang, Lingli; Wang, Yulian; Wang, Liye; Liu, Zhenli; Yuan, Zonghui.
Afiliação
  • Pan Y; National Reference Laboratory of Veterinary Drug Residues (HZAU) and MOA Key Laboratory for the Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Li P; National Reference Laboratory of Veterinary Drug Residues (HZAU) and MOA Key Laboratory for the Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Xie S; National Reference Laboratory of Veterinary Drug Residues (HZAU) and MOA Key Laboratory for the Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Tao Y; National Reference Laboratory of Veterinary Drug Residues (HZAU) and MOA Key Laboratory for the Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Chen D; National Reference Laboratory of Veterinary Drug Residues (HZAU) and MOA Key Laboratory for the Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Dai M; MOA Laboratory for Assessment of Quality and Safety of Livestock and Pourtry Products, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Hao H; MOA Laboratory for Assessment of Quality and Safety of Livestock and Pourtry Products, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Huang L; MOA Laboratory for Assessment of Quality and Safety of Livestock and Pourtry Products, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Wang Y; MOA Laboratory for Assessment of Quality and Safety of Livestock and Pourtry Products, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Wang L; National Reference Laboratory of Veterinary Drug Residues (HZAU) and MOA Key Laboratory for the Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Liu Z; MOA Laboratory for Assessment of Quality and Safety of Livestock and Pourtry Products, Huazhong Agricultural University, Wuhan, Hubei 430070, China.
  • Yuan Z; National Reference Laboratory of Veterinary Drug Residues (HZAU) and MOA Key Laboratory for the Detection of Veterinary Drug Residues, Huazhong Agricultural University, Wuhan, Hubei 430070, China; MOA Laboratory for Assessment of Quality and Safety of Livestock and Pourtry Products, Huazhong Agricul
Bioorg Med Chem Lett ; 26(16): 4146-53, 2016 08 15.
Article em En | MEDLINE | ID: mdl-27426298
ABSTRACT
A series of quinoxaline 1,4-di-N-oxide derivatives variously substituted at C-2 position were synthesized and evaluated for in vitro antimycobacterial activity. Seventeen compounds exhibited potential activity (MIC ⩽6.25µg/mL) against Mycobacterium tuberculosis (H37Rv), in particular the compounds 3d and 3j having an MIC value of 0.39µg/mL. None of the compounds exhibited cytotoxicity when using an MTT assay in VERO cells. To further investigate the structure-activity relationship, CoMFA (q(2)=0.507, r(2)=0.923) and CoMSIA (q(2)=0.665, r(2)=0.977) models were performed on the basis of antimycobacterial activity data. The 3D-QSAR study of these compounds can provide useful information for further rational design of novel quinoxaline 1,4-di-N-oxides for treatment of tuberculosis.
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Quinoxalinas / Relação Quantitativa Estrutura-Atividade / Antituberculosos Limite: Animals Idioma: En Revista: Bioorg Med Chem Lett Assunto da revista: BIOQUIMICA / QUIMICA Ano de publicação: 2016 Tipo de documento: Article País de afiliação: China
Texto completo
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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Quinoxalinas / Relação Quantitativa Estrutura-Atividade / Antituberculosos Limite: Animals Idioma: En Revista: Bioorg Med Chem Lett Assunto da revista: BIOQUIMICA / QUIMICA Ano de publicação: 2016 Tipo de documento: Article País de afiliação: China