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Rational Research

Professor Malcolm Walkinshaw's Research Group at the University of Edinburgh focuses on two main areas: …

Rational Research

Professor Malcolm Walkinshaw’s Research Group at the University of Edinburgh focuses on two main areas:

1  Protein – Ligand Interactions

A database-mining program called LIDAEUS (LIgand Discovery At Edinburgh UniverSity) – 3D databases of available molecules can be searched to select potential ligands for protein binding pockets. “A number of novel ligands that bind with micromolar dissociation constants have been discovered. As a general strategy we select ligands suitable for combinatorial chemistry and we have synthesised families of tightly binding ligands for cyclophilin,” states the Group's website. The Research Group also has a major collaboration with the Dundee-based biotech company Cyclacel Ltd, and the databases are available to all researchers looking for bioactive compounds.

2  Protein Structures of Medical Targets

A  Signal Transduction Pathways

A study of the interactions between large immunophilins and Hsp90 and the structures of cyclophilin-40 have been determined. Other targets include CDKs and PCNA.

B  Antiparasitic Drug Targets in Leishmania, Trypanosomes and Plasmodium

Studying enzymes in the parasite glycolytic pathway, including phosphofructokinase, pyruvate kinase and phosphoglycerate mutase, as well as plasmodial targets including DHFR-TS, in collaboration with Linda Gilmore and Paul Michels.


"Rational Research". Science Scotland (Issue Eleven)
Printed from on 03/04/20 11:53:57 AM

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