Molecular simulation studies of candidate enzymes and their inhibitors for the design of anticancer drugs.
Lead Research Organisation:
University of Huddersfield
Department Name: Sch of Applied Sciences
Abstract
A current challenge in the pharmaceutical industry is designing protein-based drugs, which combine the advantages of both traditional pharmaceuticals (oral bioavailability, low cost, stability) and protein based pharmaceuticals (target specific, less side-effects, less toxic).
This project aims to examine the structure and behaviour of enzymes identified as good candidates for use in protein-based anticancer drugs, as well as the interaction with their inhibitors, using computer modelling based on a combination of quantum mechanics and molecular mechanics. The general approach developed, will lead in the long term to the design of highly selective novel inhibitors.
This project aims to examine the structure and behaviour of enzymes identified as good candidates for use in protein-based anticancer drugs, as well as the interaction with their inhibitors, using computer modelling based on a combination of quantum mechanics and molecular mechanics. The general approach developed, will lead in the long term to the design of highly selective novel inhibitors.
Organisations
People |
ORCID iD |
David Cooke (Primary Supervisor) | |
Sam Walsworth (Student) |
Studentship Projects
Project Reference | Relationship | Related To | Start | End | Student Name |
---|---|---|---|---|---|
EP/R513234/1 | 30/09/2018 | 29/09/2023 | |||
2447954 | Studentship | EP/R513234/1 | 30/09/2020 | 29/09/2023 | Sam Walsworth |