Module 4: What compounds are available?

Good morning! This week we will explore the idea of chemical space and compound screening. We will discuss a case study that will help you prepare for the group project.

We will select topics for your projects based on your choices today and notify groups so that you begin working on your first milestone: outline and bibliography due on Friday.

As always, reach out if you have any questions or if you are in need of a little grace to finish Module 4!

Best,

Your HTD Instructional Team

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Overview

What compounds are available?  What is ‘chemical space’? To answer these questions we will introduce key terms and approaches to discover, create, and test novel compounds. We will analyze how false positive and false negative rates are calculated and how IC50 values are determined. We will look at MLPCN results and current and future related projects with the goal of identifying useful probes and effective therapeutics.

Upon successful completion of this module, you will be able to:

1. Define chemical space, false positives, and combinatorial chemistry. (CO 1)
2. Calculate IC₅₀s, false-negative rate/false positive rate. (CO 2)
3. Identify lead compounds from a HTS screen published in PubChem/MLPCN. (CO 2)
4. Explain PAINS to a student not familiar with screening. (CO 6)

To complete this module, you will need to:

• Watch Module 4 video.
• Complete TopHat questions.
• Read and complete Case Study 2: CaMPARI and Protein Engineering.
• Post to the discussion forum.
• Complete Milestone 1 of the group project.

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