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Chapter 2: Problem 16

Briefly describe the distinction between the terms "ligand-based" and "structure-based".

Short Answer

Expert verified
The key difference between ligand-based and structure-based drug design is their starting point. Ligand-based design starts with the structure of known active molecules and doesn't require understanding of the biological target's structure; whereas structure-based design requires knowledge of the three-dimensional structure of the biological target. Tools such as computer visualization are then used to identify potential drugs based on the binding site on the target.

Step by step solution

01

Define Ligand-Based

Ligand-based drug design is a method in which the design of new therapeutic agents is based on the knowledge of previously known active molecules. As a major constituent of computer-aided drug design, it does not require knowledge of the biological target's structure.
02

Define Structure-Based

Structure-based drug design, on the other hand, requires knowledge of the three-dimensional structure of the biological target. The method usually involves computer-aided techniques to visualize the molecules and the target's binding site in order to identify potential drugs.
03

Highlight the Main Differences

As it's clear from the definitions, the main distinction between ligand-based and structure-based drug design lies in the starting point of the design process. Ligand-based design begins with known active molecules, while structure-based design starts with a detailed understanding of the structure of the biological target.

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Most popular questions from this chapter

Consider the earlier days, when drug screening was often done in whole animals, vs. today's more modern methods of drug discovery that often start with a highthroughput screening assay. Which of the following factors do you think are most influential in driving the change toward modern methods? a. Amount of compound needed for the first test. b. Expense of animals needed for the first test. c. Early information on in vivo pharmacokinetic properties. d. Ability to have a direct indication of pharmacodynamic properties.

For computer modeling approaches in drug design, what could be the problems associated with using a crystal structure of the target receptor without a small molecule bound to it?

"Semisynthesis" is a term used to describe preparation of analogs of a natural product using the natural product isolated from natural sources as the starting material. What are some likely pros and cons of the semisynthesis approach?

What are some of the advantages and disadvantages of random screening?

Briefly describe the basis for Kuntz's DOCK program and Cramer's CoMFA.
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