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CM5544: LEAD COMPOUND IDENTIFICATION (2020-2021)

Last modified: 19 Nov 2020 12:05


Course Overview

This course provides an overview of the first stage of drug discovery, the identification of lead compounds. These lead compounds have pharmacological or biological activity and the potential to be therapeutically valuable. Approaches to identify lead compounds will be described: ranging from computer modelling and the use of commercial libraries of compounds, to serendipitous discovery.

Course Details

Study Type Postgraduate Level 5
Session Second Sub Session Credit Points 15 credits (7.5 ECTS credits)
Campus Aberdeen Sustained Study No
Co-ordinators
  • Professor C Imrie

What courses & programmes must have been taken before this course?

  • Any Postgraduate Programme
  • Msc In Industrial Pharmaceutical Chemistry: From Laboratory To Market

What other courses must be taken with this course?

None.

What courses cannot be taken with this course?

  • CM5044 Lead Compound Identification (Studied)

Are there a limited number of places available?

No

Course Description

The use of in-silico techniques will be described to study the binding sites on host fragments in order to predict appropriate docking structures focussing on the shape and charge distribution of these molecules. It will be shown how these predictions may be used to identify appropriate commercial libraries of compounds. The principles used to screen these libraries will be described with emphasis on running high throughput screening assays. These lead to the identification of lead molecular scaffolds. The next stage involves systematic molecular structure changes and repeating the assays. It will be shown how these empirical Structure-Activity Relationships (SARs) are developed. This process is an iterative one, and identifies lead compounds. Methods to conduct structure alert analysis with a view to highlighting toxicity issues will be discussed. In parallel, the biological properties of these potential lead compounds need to be predicted and this will be described using industry-standard software (e.g. Stardrop). This predicts properties such as drug absorption, metabolism, and toxicity. The outcomes of all these studies are refined and normally a small group of candidate molecules are identified. Assays specific to target indication are performed and a small suite of molecules are taken forward for biological evaluation.

A second approach will also briefly be considered based on serendipity. A large number of new and untested molecules, often arising from natural sources, are screened and lead molecules discovered by good fortune. Examples of drugs discovered using this route will be discussed.


Contact Teaching Time

Information on contact teaching time is available from the course guide.

Teaching Breakdown

More Information about Week Numbers


In light of Covid-19 and the move to blended learning delivery the assessment information advertised for courses may be subject to change. All updates for first-half session courses will be actioned no later than 1700 (GMT) on 18 September 2020. All updates for second half-session courses will be actioned in advance of second half-session teaching starting. Please check back regularly for updates.

Summative Assessments

Essay

Assessment Type Summative Weighting 40
Assessment Weeks 14 Feedback Weeks 16

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Written

Word Count 2000
Learning Outcomes
Knowledge LevelThinking SkillOutcome
ProceduralUnderstandUnderstand the process of lead compound discovery from natural sources.
ProceduralUnderstandUnderstand modern methods of in-silico molecular design.
ProceduralUnderstandUnderstand methods to identify lead compounds.

Lab Book

Assessment Type Summative Weighting 40
Assessment Weeks 10 Feedback Weeks 12

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Written.

Learning Outcomes
Knowledge LevelThinking SkillOutcome
ProceduralUnderstandUnderstand structure-activity relationships (SARS) and their application to refining molecular functionality.
ProceduralUnderstandUnderstand modern methods of in-silico molecular design.

Ot

Assessment Type Summative Weighting 20
Assessment Weeks 13 Feedback Weeks 15

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Written

Learning Outcomes
Knowledge LevelThinking SkillOutcome
ProceduralEvaluateGain experience in using industry standard software for predicting biological properties.
ProceduralUnderstandUnderstand structure-activity relationships (SARS) and their application to refining molecular functionality.

Formative Assessment

There are no assessments for this course.

Resit Assessments

Exam

Assessment Type Summative Weighting 100
Assessment Weeks Feedback Weeks

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Learning Outcomes
Knowledge LevelThinking SkillOutcome
Sorry, we don't have this information available just now. Please check the course guide on MyAberdeen or with the Course Coordinator

Course Learning Outcomes

Knowledge LevelThinking SkillOutcome
ProceduralUnderstandUnderstand methods to identify lead compounds.
ProceduralUnderstandUnderstand structure-activity relationships (SARS) and their application to refining molecular functionality.
ProceduralUnderstandUnderstand modern methods of in-silico molecular design.
ProceduralEvaluateGain experience in using industry standard software for predicting biological properties.
ProceduralUnderstandUnderstand the process of lead compound discovery from natural sources.

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