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

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...

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Bibliographic Details
Main Authors: Alessandro Bonardi, Alessio Nocentini, Sameh Mohamed Osman, Fatmah Ali Alasmary, Tahani Mazyad Almutairi, Dalal Saied Abdullah, Paola Gratteri, Claudiu T. Supuran
Format: Article
Language:English
Published: Taylor & Francis Group 2021-01-01
Series:Journal of Enzyme Inhibition and Medicinal Chemistry
Subjects:
resistance
virulence
metalloenzyme
inhibition
md
Online Access:http://dx.doi.org/10.1080/14756366.2020.1862102

Internet

http://dx.doi.org/10.1080/14756366.2020.1862102

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