Article
Comparative study of stability and activity of wild-type and mutant human carbonic anhydrase II enzymes using molecular dynamics and docking simulations.
Biochemical and biophysical research communications - 19 Nov 2024
Mapar Maryam, Taghdir Majid, Ranjbar Bijan
Abstract excerpt
The human carbonic anhydrase II (HCA II) enzyme is a cytosolic protein located in the membrane of red blood cells that reversible hydration of carbon dioxide (CO2). Considering the critical role of the HCA II and the effects of some mutations on the activity and stability of the enzyme in humans, several computational methods are used to study the structure and dynamics of the wild-type and the mutant enzymes...
Topics
- Carbonic Anhydrase II
- Humans
- Molecular Dynamics Simulation
- Enzyme Stability
- Acetazolamide
- Molecular Docking Simulation
- Mutation
- Carbon Dioxide
- Nitrophenols
- Ligands
- Carbonic Anhydrase Inhibitors
- Protein Conformation
- Carrier Proteins
- Nerve Tissue Proteins