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Chapter 2: Problem 15

(a) What is the rationale for considering the following when designing a screening collection: (1) drug- or lead-like properties, (2) privileged structures, and (3) toxicophores (b) What might be a disadvantage?

Short Answer

Expert verified
A screening collection is designed considering drug- or lead-like properties, privileged structures, and avoiding toxicophores to increase the chance of identifying potential drug candidates. However, this approach might limit the scope of potential compounds.

Step by step solution

01

Understanding screening collection

A screening collection is a selection of compounds used in the early stages of drug discovery to identify potential candidates for further development. It's important to understand that these collections should contain compounds with certain characteristics, such as drug- or lead-like properties, privileged structures, and avoiding toxicophores.
02

Understanding drug- and lead-like properties

Drug-like properties refer to the qualities that a molecule must have to be considered a potential drug. These include, among other things, the ability to reach the target site in the body and interact with it in the desired way. Lead-like properties refer to the molecular properties that make a chemical compound a prospect for becoming a new successful drug.
03

Understanding privileged structures

Privileged structures are certain types of molecular frameworks that are known to be capable of binding to multiple types of proteins. Including these structures in a screening collection increases the chance of identifying potential drug candidates.
04

Understanding toxicophores

Toxicophores are structural features that are associated with toxicity. In designing a screening collection, it's important to avoid these structures to reduce the chance of selecting potential candidates that might have harmful effects.
05

Considering potential disadvantages

While considering all these factors helps to increase the chance of identifying potential drug candidates, it may also limit the scope of the screening collection. For example, focusing too much on drug-like properties might exclude compounds that do not strictly meet the criteria but might have been successful drugs. Similarly, avoiding all toxicophores might exclude compounds that are only mildly toxic or have a toxicity that can be managed or mitigated.

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