Cover Image

Enzymes -- mechanisms, dynamics and inhibition /

Enzymes - Mechanisms, Dynamics and Inhibition, Volume 122, the latest release in the Advances in Protein Chemistry and Structural Biology series, highlights new advances in the field, with this new volume presenting new and interesting chapters on the topics. Each chapter is written by an internatio...

Full description

Bibliographic Details
Corporate Author: ScienceDirect (Online service)
Other Authors: Christov, Christo (Senior lecturer in computational biochemistry) (Editor), Karabencheva-Christova, Tatyana (Editor)
Format: eBook
Language:English
Published: [Place of publication not identified] : Academic Press, 2020.
Series:Advances in protein chemistry and structural biology ; v. 122.
Subjects:
Enzymes.
Enzymes
enzyme.
Electronic books.
Online Access:Connect to the full text of this electronic book
Table of Contents:
  • 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 Förster 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