Autor: "Abdullah DS" - OpacWWW

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Tytuł:: 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.
Autorzy:: Bonardi A; Department NEUROFARBA - Pharmaceutical and Nutraceutical Section; Laboratory of Molecular Modeling Cheminformatics & QSAR, University of Firenze, Sesto Fiorentino, Italy.; Department NEUROFARBA - Pharmaceutical and Nutraceutical Section, University of Firenze, Sesto Fiorentino, Italy.
Nocentini A; Department NEUROFARBA - Pharmaceutical and Nutraceutical Section; Laboratory of Molecular Modeling Cheminformatics & QSAR, University of Firenze, Sesto Fiorentino, Italy.; Department NEUROFARBA - Pharmaceutical and Nutraceutical Section, University of Firenze, Sesto Fiorentino, Italy.
Osman SM; Chemistry Department, College of Science, King Saud University, Riyadh, Saudi Arabia.
Alasmary FA; Chemistry Department, College of Science, King Saud University, Riyadh, Saudi Arabia.
Almutairi TM; Chemistry Department, College of Science, King Saud University, Riyadh, Saudi Arabia.
Abdullah DS; Chemistry Department, College of Science, King Saud University, Riyadh, Saudi Arabia.
Gratteri P; Department NEUROFARBA - Pharmaceutical and Nutraceutical Section; Laboratory of Molecular Modeling Cheminformatics & QSAR, University of Firenze, Sesto Fiorentino, Italy.; Department NEUROFARBA - Pharmaceutical and Nutraceutical Section, University of Firenze, Sesto Fiorentino, Italy.
Supuran CT; Department NEUROFARBA - Pharmaceutical and Nutraceutical Section, University of Firenze, Sesto Fiorentino, Italy.; Pokaż więcej
Źródło:: Journal of enzyme inhibition and medicinal chemistry [J Enzyme Inhib Med Chem] 2021 Dec; Vol. 36 (1), pp. 469-479.
Typ publikacji:: Journal Article
MeSH Terms:: Molecular Docking Simulation*
Molecular Dynamics Simulation*
Carbonic Anhydrase Inhibitors/*pharmacology
Carbonic Anhydrases/*metabolism
Sulfonamides/*pharmacology
Vibrio cholerae/*enzymology
Carbonic Anhydrase Inhibitors/chemistry ; Carbonic Anhydrase Inhibitors/isolation & purification ; Dose-Response Relationship, Drug ; Humans ; Isoenzymes/antagonists & inhibitors ; Isoenzymes/metabolism ; Molecular Structure ; Structure-Activity Relationship ; Sulfonamides/chemistry ; Sulfonamides/isolation & purification

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