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

• Main Authors: Alessandro Bonardi (Author), Alessio Nocentini (Author), Sameh Mohamed Osman (Author), Fatmah Ali Alasmary (Author), Tahani Mazyad Almutairi (Author), Dalal Saied Abdullah (Author), Paola Gratteri (Author), Claudiu T. Supuran (Author)
• Format: Book
• Published: Taylor & Francis Group, 2021-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...