Module: Drug Design workshop

Module Specifications.

Current Academic Year 2024 - 2025

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Date posted: September 2024

Module Title	Drug Design workshop
Module Code	CS415 (ITS) / CHM1041 (Banner)
Faculty	Science & Health	School	Chemical Sciences
Module Co-ordinator	Darren Fayne
Module Teachers	Emma Coyle, Kieran Nolan
NFQ level	8	Credit Rating	5
Pre-requisite	Not Available
Co-requisite	Not Available
Compatibles	Not Available
Incompatibles	Not Available

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Description

The purpose of this module is to provide detailed understanding of some aspects of the problems faced by the modern drug industry in developing new active molecules. This will be achieved by setting the students problems in medicinal chemistry which are then approached using a rational and structured method. This will require the students to work in groups on the application of theoretical and computational drug discovery techniques to different aspects of a problem in molecular design.

Learning Outcomes

1. Demonstrate an appreciation of the drug design process in modern pharmaceutical science.
2. Work with their class group to collate and analyse data to address a simple problem in drug design.
3. Critically evaluate the outputs of the group and propose improved strategies for further analysis.
4. Present the outcomes of their work in a written form.

*Type*	*Hours*	*Description*
Workload	Full-time hours per semester
Workshop	12	No Description
Group work	14	No Description
Independent Study	39	No Description
Assignment Completion	60	Working on assignments 1, 2 & 3
Total Workload: 125

All module information is indicative and subject to change. For further information,students are advised to refer to the University's Marks and Standards and Programme Specific Regulations at: http://www.dcu.ie/registry/examinations/index.shtml

Indicative Content and Learning Activities

Computational chemistry
Basis of quantum chemical methods, potential energy surfaces, molecular modelling and ab initio methiods. Introduction to modern quantum chemical software tools

Drug design
Application of quantum chemical methods to a selected proble in drug design. Application of QSAR methods. Group work to calculate the properties of a library of compounds and predict efficacy.

Assessment Breakdown
Continuous Assessment	100%	Examination Weight	0%

Type	Description	% of total	Assessment Date
Course Work Breakdown
Group assignment	n/a	10%	n/a
Group presentation	n/a	30%	n/a
Assignment	n/a	60%	Week 9

Reassessment Requirement Type
Resit arrangements are explained by the following categories: Resit category 1: A resit is available for both* components of the module. Resit category 2: No resit is available for a 100% continuous assessment module. Resit category 3: No resit is available for the continuous assessment component where there is a continuous assessment and examination element.
* ‘Both’ is used in the context of the module having a Continuous Assessment/Examination split; where the module is 100% continuous assessment, there will also be a resit of the assessment
This module is category 1

Indicative Reading List

Graham L. Patrick: 2015, An Introduction to Drug Synthesis, Oxford University Press, 9780198708438

Other Resources

None