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Inhibition of α-, β- and γ-carbonic anhydrases from the pathogenic bacterium Vibrio cholerae with aromatic sulphonamides and clinically licenced drugs – a joint docking/molecular dynamics study
The binding mode of aromatic sulphonamides and clinically licenced drugs to the three carbonic anhydrase (CA, EC 4.2.1.1) isoforms from the human pathogen V. cholerae was here thouroghly characterised by a joint docking and molecular dynamics in silico protocol. In fact, VchCA, VchCAβ, and VchCAγ ar...
Autores principales: | Bonardi, Alessandro, Nocentini, Alessio, Osman, Sameh Mohamed, Alasmary, Fatmah Ali, Almutairi, Tahani Mazyad, Abdullah, Dalal Saied, Gratteri, Paola, Supuran, Claudiu T. |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Taylor & Francis
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7822066/ https://www.ncbi.nlm.nih.gov/pubmed/33472446 http://dx.doi.org/10.1080/14756366.2020.1862102 |
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