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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.



Syllabus


Public CV