Compare structure-based drug design and combinatorial chemistry as tools for developing drug candidates.

Short Answer

Expert verified

For developing the drugs, structural based drug design has the binding of drugs in the target. In combinatorial chemistry, the compound libraries are formed, and they can form a large number of chemicals.

Step by step solution

01

Introduction

Drug design is the process of coming up with novel treatments based on a biological target's information. At its most basic level, drug design creates molecules that are complementary in form and charge to the molecular targetwith which they interact and bind.

02

Developing drug candidates through structure-based drug design

Direct drug design refers to drug design based on the enzyme's structure and the drug candidate. It is also known as rational drug design. This approach depends on X-Ray Crystallography or NMR Spectroscopy,which helps determine molecules' macromolecular structure.Thus, it helps to reduce the number of molecules that must be manufactured in a drug development procedure.

The structure of a receptor or enzyme in association with a drug candidate is used in structure-based drug design (also known as rational drug design) to aid the development of a more effective molecule.

03

Developing drug candidates through combinatorial chemistry

A collection of chemical synthesis processes is referred to as combinatorial chemistry. These approaches make it possible to make many chemicals in one step with the help of high-throughput screening techniques.

High-throughput screening (HTS) is adrug discovery approach that involves the automated testing of many chemical or biological substances for a specific biological target, such as through binding tests.

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Most popular questions from this chapter

You are trying to determine the KM for an enzyme. Due to a labmishap, you have only two usable data points:

Substrate concentration (μM)

Reaction velocity (μM s⁻¹)

1

5

100

50

Use these data to calculate an approximate value for KM. Is this valuelikely to be an overestimate or an underestimate of the true value? Explain.

Ethanol in the body is oxidized to acetaldehyde (CH₃CHO) by liveralcohol dehydrogenase (LADH). Other alcohols are also oxidized byLADH. For example, methanol CH₃OH), which is mildly intoxicating, isoxidized by LADH to the quite toxic product formaldehyde (CH₂O). Thetoxic effects of ingesting methanol (a component of many commercialsolvents) can be reduced by administering ethanol. The ethanol acts as acompetitive inhibitor of the methanol by displacing it from LADH. Thisprovides sufficient time for the methanol to be harmlessly excreted bythe kidneys. If an individual has ingested 100 mL of methanol (a lethaldose), how much 100 proof whiskey (50% ethanol by volume) must beimbibe to reduce the activity of his LADH toward methanol to 5% of itsoriginal value? The adult human body contains -40 L of aqueous fluidsthroughout which ingested alcohols are rapidly and uniformly mixed.The densities of ethanol and methanol are both 0.79 g .cm-3. Assumethe KM values of LADH for ethanol and methanol to be 1.0 X 10⁻³Mand 1.0 X 10⁻²M, respectively, and that KI = KM for ethanol.

Explain why each of the following data sets from a Lineweaver Burk plot are not individually ideal for determining KM for an enzyme catalysed reaction that follows Michaelis-Menten kinetics.

Set A

1/[S] (mM⁻¹)

1/v0 (𝛍M⁻¹.s)

0.5

2.4

1.0

2.6

1.5

2.9

2.0

3.1

Set B

1/[S] (mM⁻¹)

1/v0(𝛍M⁻¹.s)

8

5.9

10

6.8

12

7.8

14

8.7

Summarize the purpose of phases I through III of a clinical trial.

Explain the structural basis for cooperative substrate binding and allosteric control in ATCase.

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