| CODE | PHR2220 | ||||||||
| TITLE | Computational Chemistry Project 1 | ||||||||
| UM LEVEL | 02 - Years 2, 3 in Modular Undergraduate Course | ||||||||
| MQF LEVEL | 5 | ||||||||
| ECTS CREDITS | 4 | ||||||||
| DEPARTMENT | Pharmacy | ||||||||
| DESCRIPTION | This is the first in a series of sequential study-units that will develop skills in Computational Chemistry. In this unit, the students will acquire the skills in virtual screening through a case-study approach. Study-unit Aims: To provide students with the opportunity to: - Use protein databank and computer software relevant to in silico drug design; - Conduct a literature review to identify the state of the art. Learning Outcomes: 1. Knowledge & Understanding By the end of the study-unit the student will be able to: - Search the protein data bank and retrieve data; - Generate 2D topology maps describing the interactions between small molecules and protein receptors. 2. Skills By the end of the study-unit the student will be able to: - Interpret the crystallographic data available on the protein databank; - Use this data to understand small molecule binding modalities and distinguish between favourable and unfavourable interactions; - Undertake rational hit selection based on a combination of affinity and physicochemical parameters with implementation of Lipinski鈥檚 Rule. Main Text/s and any supplementary readings: - Rydewski RM Real World Drug Discovery: A Chemist's Guide to Biotech and Pharmaceutical Research. 2008 Elsevier Ltd. - Wermuth CG The Practice of Medicinal Chemistry. 2008 Elsevier Ltd. |
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| RULES/CONDITIONS | Before TAKING THIS UNIT YOU MUST TAKE PHR1027 | ||||||||
| STUDY-UNIT TYPE | Independent Study and Tutorial | ||||||||
| METHOD OF ASSESSMENT |
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| LECTURER/S | Claire Shoemake |
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The University makes every effort to ensure that the published Courses Plans, Programmes of Study and Study-Unit information are complete and up-to-date at the time of publication. The University reserves the right to make changes in case errors are detected after publication.
The availability of optional units may be subject to timetabling constraints. Units not attracting a sufficient number of registrations may be withdrawn without notice. It should be noted that all the information in the description above applies to study-units available during the academic year 2025/6. It may be subject to change in subsequent years. |
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