Topic 3: Ligand Based Drug Design

Topic Overview

Welcome students to Topic 3. The modes of learning for this topic is i-lecture and computer aided learning (CAL). In the CAL session, you will learn how to use ligand based drug design tools in the Schrodinger Suite. You will then prepare a CAL report to suggest compounds with improved efficacy and safety for the treatment of a disease. The CAL report will contribute to 10% of the module mark.

In this topic, you will learn the following lessons:

a. Theory and Principles involved in ligand based drug design

b. Prepare ligands for pharmacophore modelling

c. Creating pharmacophore sites

d. Finding common pharmacophores

e. Generation, scoring and validation of hypotheses

f. Industry case studies

Please use firebox browser to view the i-lecture

3.1       Theory and Principles involved in ligand based drug design

3.2       Prepare ligands for pharmacophore modelling

3.3       Creating pharmacophore sites

3.4       Finding common pharmacophores

3.5       Generation, scoring and validation of hypotheses

3.6       Industry case studies

3.7       CAL Quiz (Ungraded)

3.8       CAL Report (Graded)