Enzymes -- mechanisms, dynamics and inhibition /

Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Christov, Christo (Senior lecturer in computational biochemistry) (Editor ), Karabencheva-Christova, Tatyana (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: [Place of publication not identified] : Academic Press, 2020.
Colección:Advances in protein chemistry and structural biology ; v. 122.
Temas:
Enzymes.
Enzymes
enzyme.
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Front Cover
  • Advances in Protein Chemistry and Structural Biology
  • Enzymes
  • Mechanisms, Dynamics and Inhibition
  • Copyright
  • Contents
  • Contributors
  • One
  • Mapping enzyme-substrate interactions: its potential to study the mechanism of enzymes
  • 1. Why modeling enzyme structure and dynamics
  • 2. A method for everybody
  • 2.1 Sequence-based approaches
  • 2.2 Structure-based approaches
  • 2.2.1 Molecular modeling
  • 2.3 AI-based approaches
  • 3. Enzymes mechanism: the potential of mapping enzyme-substrate interactions
  • 4. From modeling to engineering
  • References
  • Two
  • Experimental insight into enzyme catalysis and dynamics: A review on applications of state of art spectroscop ...
  • 1. Introduction
  • 2. Single molecule detection
  • 2.1 Fluorescence correlation spectroscopy
  • 2.2 Single molecule F�orster Resonance Energy Transfer
  • 3. Ultrafast spectroscopy
  • 4. Raman and Resonance Raman spectroscopy
  • 5. Conclusion
  • References
  • Three
  • Structure, catalytic mechanism, posttranslational lysine carbamylation, and inhibition of dihydropyrimidinases
  • 1. Introduction
  • 2. Structural mechanisms of Lys carbamylation in dihydropyrimidinase
  • 3. Molecular basis of dimer or tetramer formation: different contact residues
  • 4. Catalytic mechanism: dynamic loops, tunnel bottleneck, and metal content of dihydropyrimidinases
  • 5. Competitive inhibitors of dihydropyrimidinase
  • 6. Conclusions
  • Acknowledgements
  • References
  • Four
  • Catalytic activity regulation through post-translational modification: the expanding universe of protein div ...
  • 1. Introduction
  • 2. Post-translational modifications at protein backbones
  • 2.1 A backbone proline hydroxylation promotes active-site maturation
  • 2.2 Asparagine deamidation to isoAspartate impairs binding interactions with ligand
  • 3. Metabolism regulation by post-translational modifications
  • 3.1 Multiple post-translational modifications in a single active site
  • 3.2 Lysine acylations: novel discoveries of PTMs of a commonly modified residue
  • 4. AMPylation: new insights to an emerging modification
  • 4.1 AMPylation regulates protein folding
  • 4.2 AMPylation mediates bacterial pathogenicity and host-defense mechanisms
  • 4.3 The SelO pseudokinase is actually an AMPylase
  • 5. Stress responsive post-translational modifications: cysteine oxidation and S-nitrosylation
  • 6. Conclusions
  • References
  • Five
  • Current advances on the development of BET inhibitors: insights from computational methods
  • 1. Introduction
  • 2. In silico methods and computer-aided drug design (CADD)
  • 2.1 Structure-based drug design (SBDD)
  • 2.1.1 Molecular docking
  • 2.1.2 Molecular dynamics (MD)
  • 2.1.3 Free energy calculations
  • 2.1.3.1 Scoring functions
  • 2.1.3.2 End-point calculations
  • 2.1.3.3 Free energy perturbations (alchemical methods)
  • 2.1.4 Similarity methods

Ejemplares similares