Identify old drugs as selective bacterial ß-GUS inhibitors by structural-based virtual screening and bio-evaluations.

Chen, Zhou; Xu, Xiaoshuang; Piao, Lianhua; Chang, Shan; Liu, Jiyong; Kong, Ren

Chen, Zhou; Xu, Xiaoshuang; Piao, Lianhua; Chang, Shan; Liu, Jiyong; Kong, Ren.

Afiliação

Chen Z; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, School of Chemical and Environmental Engineering, Jiangsu University of Technology, Changzhou, China.
Xu X; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, School of Chemical and Environmental Engineering, Jiangsu University of Technology, Changzhou, China.
Piao L; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, School of Chemical and Environmental Engineering, Jiangsu University of Technology, Changzhou, China.
Chang S; Institute of Bioinformatics and Medical Engineering, School of Electrical and Information Engineering, School of Chemical and Environmental Engineering, Jiangsu University of Technology, Changzhou, China.
Liu J; Department of Pharmacy, Fudan University Shanghai Cancer Center, Shanghai, China.
Kong R; Department of Oncology, Shanghai Medical College, Fudan University, Shanghai, China.

Chem Biol Drug Des ; 95(3): 368-379, 2020 03.

Article em En | MEDLINE | ID: mdl-31834987

Assuntos

Antidiarreicos/química; Aspartame/farmacologia; Proteínas de Bactérias/metabolismo; Clozapina/análogos & derivados; Diarreia/tratamento farmacológico; Inibidores Enzimáticos/química; Gemifloxacina/farmacologia; Glucuronidase/antagonistas & inibidores; Antidiarreicos/farmacologia; Bactérias/efeitos dos fármacos; Bactérias/enzimologia; Camptotecina/análogos & derivados; Camptotecina/farmacologia; Clozapina/farmacologia; Avaliação Pré-Clínica de Medicamentos; Inibidores Enzimáticos/farmacologia; Escherichia coli/enzimologia; Glucuronatos/farmacologia; Humanos; Irinotecano/efeitos adversos; Simulação de Acoplamento Molecular; Simulação de Dinâmica Molecular; Ligação Proteica; Conformação Proteica; Relação Estrutura-Atividade

Palavras-chave

CPT-11 induced diarrhea; bacterial ß-GUS inhibitor; drug repositioning; structural based virtual screening

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Assunto principal: Aspartame / Proteínas de Bactérias / Clozapina / Diarreia / Inibidores Enzimáticos / Gemifloxacina / Glucuronidase / Antidiarreicos Tipo de estudo: Diagnostic_studies / Screening_studies Limite: Humans Idioma: En Revista: Chem Biol Drug Des Assunto da revista: BIOQUIMICA / FARMACIA / FARMACOLOGIA Ano de publicação: 2020 Tipo de documento: Article País de afiliação: China

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