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Related Concept Videos

Structure-Activity Relationships and Drug Design01:28

Structure-Activity Relationships and Drug Design

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Drug design is a dynamic field that involves discovering and developing new medications based on specific biological targets. This process heavily relies on structure-activity relationships (SAR) and quantitative structure-activity relationships (QSAR) to guide the design and optimization of efficient drugs.
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Protein Organization01:24

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Proteins are polymers of amino acid residues. They are versatile and responsible for different cellular functions, including DNA replication, molecular transport, catalysis, and structural support. Proteins have a hierarchical structure comprising at least three levels of organization: primary, secondary, and tertiary structure. Some large proteins have a quaternary structure where individual protein subunits are linked together.
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Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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Protein domains are small structurally independent units that are part of a single amino acid chain.  Although these domains are often structurally independent, they may rely on synergistic effects to perform their functions as part of a larger protein. Protein domains may be conserved within the same organism, as well as across different organisms.
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Biopharmaceutical Factors Influencing Drug Product Design: Overview01:22

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Rational drug product design integrates knowledge of the drug’s physicochemical properties, formulation components, manufacturing techniques, and intended route of administration. Each factor influences the drug’s performance, including how it is released, absorbed, and eliminated in the body.The physicochemical properties of a drug—such as solubility, stability, and particle size—affect its compatibility with excipients and the choice of dosage form. Excipients, though...
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Proteins are one of the most abundant organic molecules in living systems and have the most diverse range of functions of all macromolecules. Proteins may be structural, regulatory, contractile, or protective. They may serve in transport, storage, or membranes; or they may be toxins or enzymes. Their structures, like their functions, vary greatly. They are all, however, amino acid polymers arranged in a linear sequence.
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Protein WISDOM: A Workbench for In silico De novo Design of BioMolecules
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Rational and Semirational Protein Design.

Ivan V Korendovych1

  • 1Department of Chemistry, Syracuse University, 111 College Place, Syracuse, NY, 13244, USA. ikorendo@syr.edu.

Methods in Molecular Biology (Clifton, N.J.)
|November 1, 2017
PubMed
Summary

This review covers rational and semirational enzyme engineering strategies. It summarizes principles for improving enzyme activity, selectivity, stability, and pH profiles for novel applications.

Keywords:
Computational enzyme designDe novo enzyme designEnantioselectivityMolecular dockingMolecular dynamicsRational protein designSubstrate specificityThermostabilitypH optimum

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Area of Science:

  • Biochemistry
  • Biotechnology
  • Enzyme Engineering

Background:

  • Enzyme engineering is crucial for developing biocatalysts with tailored properties.
  • Rational and semirational approaches are key methodologies in modifying enzyme function.

Purpose of the Study:

  • To provide an overview of design approaches in enzyme engineering.
  • To summarize principles for enhancing enzyme characteristics such as activity, selectivity, and stability.

Main Methods:

  • Literature review of rational and semirational enzyme engineering strategies.
  • Analysis of underlying principles for modifying enzyme properties.

Main Results:

  • Detailed summary of design methodologies for enzyme engineering.
  • Explanation of principles for optimizing novel activities, enantioselectivity, substrate specificity, stability, and pH optimum.

Conclusions:

  • Rational and semirational approaches offer versatile strategies for enzyme design.
  • Understanding these principles is essential for advancing biocatalysis and biotechnology.