Computation Approaches in Drug Discovery and Toxicology
PMCY 6420E
2 hours
Computation Approaches in Drug Discovery and Toxicology
Analytical Thinking
Course Description
In-depth study of the first, second, and third stages of
a drug discovery pipeline. This is the second of a three-course
series that encompasses aspects of the drug discovery pipeline.
Athena Title
Drug Discovery and Toxicology
Non-Traditional Format
This course will be taught 95% or more online.
Semester Course Offered
Offered spring
Grading System
A - F (Traditional)
Student learning Outcomes
1. Students will be familiar with the basic toxicology screens used in pharmaceutical industries to facilitate lead
discovery.
2. Students will know how to graph data to compare relative potencies of different chemicals in order with regards
to potential toxicities.
3. Students will know the terms related to drug screening and toxicity testing.
4. Students will design and assess data derived from high through drug screening assays.
5. Students will use MetaboAnalyst to analyze bioinformatic data sets.
6. Students will design assays to validate positive hits and identify false positives.
Topical Outline
I. Modern Toxicity Studies in the Drug Discovery Pipeline
L1: Drug Toxicity Screens Cummings
L2: Mutagenic and Genotoxicity Analysis Cummings
L3: Deterring IC50’s Cummings
Quiz 1 Cummings
L4: MTT Assays Cummings
L5: Morphological Analysis Cummings
F1 Forum Discussion Cummings
Quiz 2 Cummings
Assignment: Drug Toxicity Assessment Video Cummings
Module II Bioinformatic data
L7: Analysis of bioinformatic data Cummings
L8: Use of MetaboAnalyst Cummings
L9: Deriving PCA and PLSDA Cummings
L10: Deriving Volcano Plots Cummings
F2: Forum Discussion
Quiz 3
Module III Bioinformatic Data II
L11: Loading the Data Set Cummings
L12: Data Analysis Cummings
L13: Data Presentation Cummings
F2: Forum Discussion Cummings
Quiz 4 Cummings
Assignment: Bioinformatic Analysis of omic-data Cummings
Module IV Toxicity Screening of Potential Anti-Cancer Agents
L15:Acquisition of Lead Candidates Cummings
L16: Basic Toxicity Screens Cummings
F3: Forum Discussion Cummings
Quiz 5
Assignment: Determine IC50’s of Lead Candidates Cummings
Module V. MetaboAnalyst and cDNA Screening
L17: Acquisition of Data Cummings
L18: PCA Derivation Cummings
L19: Volcano and Loading Plots Cummings
F4: Forum Discussion Cummings
Quiz 6
Assignment: Presentation of Omic-data Cummings
Module VI. Data Analysis and Presentation
L21: Basic Toxicity Screens Cummings
L22: Omic-analysis Cummings
L23: Recommendations Cummings
Quiz 7
Assignment: Future Directions Cummings
F5: Final Forum Discussion Cummings
II. Toxicity Screening of Potential Anti-Cancer Agents
III. Adapting MTT and Ames to High Throughput Assays
IV. Selection of the Right Drug Candidate
V. Data Analysis and Presentation
Institutional Competencies Learning Outcomes
Analytical Thinking
The ability to reason, interpret, analyze, and solve problems from a wide array of authentic contexts.