Question

1. What is the aim of doing SAR analyses?

2. Many of the examples in this module refer to parameters such as Ki, IC50, Kd, logP, logD, and pKa. Explain what each of these terms refers to and what effects high or low values may have on SAR.

3 .What is meant by "acidic drug" or "basic drug" and why are these properties of importance in drug design (Hint: see optional reading)?

4. Hydrogen bonding is an important consideration in drug design. a) Describe which functional groups may be involved in hydrogen bonding and how you would test if hydrogen bonding was important in drug activity. Illustrate with chemical diagrams. b) What are internal hydrogen bonds and why would you exploit them? Draw out an example from the week's contents and illustrate your point.

5. Explain the concept of rigidification in drug design. Use a few examples.

Answer 1

The aim of doing SAR analyses is to find a relationship between structure and activity of various drugs. The biological effects of a new chemical compound can often be predicted from its molecular structure using data about other similar compounds. This is because similar compounds may have similar physical and biological properties.

SAR analyses can also be used to evaluate specific chemical structures and their biological effects. When combined with appropriate professional judgment, SAR can be a powerful tool to understanding functional implications when similarities are found.