An adjusted 3D-QSAR model for the combined activity of fluoroquinolones photodegradation and microbial degradation assisted by dynamic simulation and its application in molecular modification.

Zhang, Wenhui; Gu, Wenwen; Sun, Ruihao; Zhou, Mengying; Han, Zhenzhen; Li, Yu

Zhang, Wenhui; Gu, Wenwen; Sun, Ruihao; Zhou, Mengying; Han, Zhenzhen; Li, Yu.

Afiliação

Zhang W; The Key Laboratory of Resource and Environmental System Optimization, Ministry of Education, North China Electric Power University, Beijing 102206, China. Electronic address: zhangwh7722@outlook.com.
Gu W; The Key Laboratory of Resource and Environmental System Optimization, Ministry of Education, North China Electric Power University, Beijing 102206, China. Electronic address: gww0813@outlook.com.
Sun R; The Key Laboratory of Resource and Environmental System Optimization, Ministry of Education, North China Electric Power University, Beijing 102206, China. Electronic address: srh2019520@outlook.com.
Zhou M; The Key Laboratory of Resource and Environmental System Optimization, Ministry of Education, North China Electric Power University, Beijing 102206, China. Electronic address: zhoumengying1997@126.com.
Han Z; The Key Laboratory of Resource and Environmental System Optimization, Ministry of Education, North China Electric Power University, Beijing 102206, China. Electronic address: hzzicy1102@163.com.
Li Y; The Key Laboratory of Resource and Environmental System Optimization, Ministry of Education, North China Electric Power University, Beijing 102206, China. Electronic address: liyuxx8@hotmail.com.

Ecotoxicol Environ Saf ; 212: 111973, 2021 Apr 01.

Article em En | MEDLINE | ID: mdl-33516099

Assuntos

Biodegradação Ambiental; Fluoroquinolonas/metabolismo; Relação Quantitativa Estrutura-Atividade; Fluoroquinolonas/química; Fluoroquinolonas/toxicidade; Humanos; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Fotólise; Reprodutibilidade dos Testes

Palavras-chave

Combined degradation effect; Gatifloxacin; Molecular modification; Multi-index comprehensive weighted score evaluation; Photodegradation or microbial degradation of fluoroquinolone; Potential environmental risks

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Biodegradação Ambiental / Relação Quantitativa Estrutura-Atividade / Fluoroquinolonas Tipo de estudo: Prognostic_studies / Risk_factors_studies Limite: Humans Idioma: En Ano de publicação: 2021 Tipo de documento: Article

Texto completo

Imprimir

XML

PubMed Links

Buscar no Google