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Computer Aided Drug Design Techniques Quiz

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Computer Aided Drug Design Techniques Quiz

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Questions and Answers

What are the components of a pharmacophore feature?

Chemical group, 3D orientation, tolerance, weight

Chemical function, location, charge, weight

Chemical function, location, orientation, tolerance (correct)

Chemical group, 3D location, charge, weight

What is the purpose of ligand-based drug design?

To mimic the active groups on the ligand

To generate new ligands with necessary chemical groups for biological function (correct)

To identify features of inactive small molecules and active small molecules

To examine the 3D structure of the biological target

What is the advantage of ligand-based drug design over receptor-based drug design?

Doesn't require knowledge of the biological target structure (correct)

Enables identification of necessary chemical groups for biological function

Facilitates mapping of active molecule on pharmacophore

Allows direct examination of the 3D structure of the biological target

What is the main focus of receptor-based drug design?

<p>Examine the 3D structure of the biological target</p> Signup and view all the answers

What technique joins together to form VIRTUAL SCREENING protocols?

<p>All techniques mentioned in Drug Design Part 2</p> Signup and view all the answers

Study Notes

Pharmacophore Feature Components

A pharmacophore feature consists of several key components, including hydrogen bond acceptors, hydrogen bond donors, hydrophobic regions, and aromatic rings.

Ligand-Based Drug Design

The primary purpose of ligand-based drug design is to identify a pharmacophore model that describes the essential features of a ligand that binds to a target protein.
This approach is advantageous because it does not require prior knowledge of the target protein's three-dimensional structure.

Comparison of Ligand-Based and Receptor-Based Drug Design

Ligand-based drug design has an advantage over receptor-based drug design because it can be applied even when the 3D structure of the target protein is unknown.

Receptor-Based Drug Design

The main focus of receptor-based drug design is to design a ligand that is complementary to the binding site of the target protein.

Virtual Screening

Virtual screening protocols combine multiple techniques, including pharmacophore filtering, shape similarity, and molecular docking, to identify potential drug candidates.

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Description

Test your knowledge of computer aided drug design techniques including ligand-based drug design, QSARs, pharmacophore perception, receptor-based drug design, molecular modelling, and de-novo drug design. Explore how these techniques come together in virtual screening protocols to aid in drug discovery and development.