Development of new computational and experimental methods for fragment based drug discovery by NMR

Lead Research Organisation: University of Leicester
Department Name: Molecular and Cell Biology

Abstract

Many prescribed drugs generate adverse effects, lack efficacy or are poorly adhered to. Central to the concept of precision medicine is the maximisation of drug efficacy and the minimisation of side effects. Due to "Mendelian randomisation" observational studies can provide unconfounded estimates of the effects of genetic variants on treatment response. UK primary care data provides unique opportunities for such observational pharmacogenetic studies. Working with data from the local Extended Study of E-health, Environment and DNA (EXCEED) cohort, the student will develop and validate research methods which can identify signatures of adverse reactions or lack of efficacy in electronic medical records employed in UK primary care. These will then be utilised to undertake well powered pharmacogenetic studies using primary care data in large electronic medical record based studies, including UK Biobank. The student will be based in an internationally leading genetic epidemiology group with a track record of training award winning students. The project will be an excellent vehicle for advanced training in genetic epidemiology. Applicants should have a background in statistics, computational biology, bioinformatics or closely related area coupled with knowledge and/or experience of epidemiology and good computer programming skills.

Publications

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Studentship Projects

Project Reference Relationship Related To Start End Student Name
MR/N013913/1 30/09/2016 29/09/2025
1853155 Studentship MR/N013913/1 30/09/2016 30/03/2020 Luca Mureddu
 
Description Three months Internship 
Organisation Harvard University
Department Harvard Medical School
Country United States 
Sector Academic/University 
PI Contribution During my three months internship I helped the collaborators with my computational expertise in ongoing projects.
Collaborator Contribution The collaborators provided large quantity of experimental data for validating my computational works. It also provided an extra project for completing an area of interest relative to my PhD project.
Impact Screening of small molecules on new target. New routines for small molecules optimisation Ccpnmr plugin for backbone assignment
Start Year 2019
 
Description Ccpnmr annual practicals 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach National
Primary Audience Postgraduate students
Results and Impact Group practicals on the usage of NMR as tool in drug discovery and general biological interest. I was a lead on the practicals which was based using the software and and tools I have developed during my PhD.
Year(s) Of Engagement Activity 2017,2018
 
Description NMR masterclasses practical 
Form Of Engagement Activity Participation in an activity, workshop or similar
Part Of Official Scheme? No
Geographic Reach Local
Primary Audience Postgraduate students
Results and Impact Masterclass on the usage of NMR as tool in drug discovery. I was a lead on the practical which was based using the software and and tools I have developed during my PhD.
Year(s) Of Engagement Activity 2017,2018