Leach Research Group


November 2019 - Our latest publication on racemisation with the Buurma group has been published and we reveal how scant is our understanding of racemisation in biological media.


November 2019 - Our latest publication with the Lloyd-Jones group (along with the Thomas group, also in Edinburgh) concerning a reaction with a fascinating intermediate has been published


October 2019 - Andrew has moved to the University of Manchester


January 2019 - Michele Assante has joined us to undertake his PhD developing new methods to understand reactions in solution


August 2018 - we are advertising for a new PhD student - a great opportunity to work collaboratively with AstraZeneca to develop new methods to understand reactions in solution.


August 2018 - Our latest work in collaboration with the Lloyd-Jones group has been published


July 2018 - Our studies of a catalytic reaction in collaboration with Allan Watson have been published


July 2018 - Joanna has graduated - congratulations to our latest PhD!


June 2018 - Andrew was a runner-up in the Vice-Chancellor's Prize for Excellence in Research and Scholarship


April 2018 - The first of many publications with the Fossey group at Birmingham describes the catalysis provided by copper complexed with interesting rigid azetidine ligands.


April 2018 - More publishing success from the matched molecular pairs collaboration with MedChemica.


March 2018 - Yamir has successfully completed his first year report and viva.


February 2018 - Joanna has submitted her thesis.


January 2018 - The latest in our series of papers investigating interactions between drugs and pulmonary monolayers has been published.


​October 2017 - Our research in the area of racemisation has been published in Angewandte Chemie.  This is a remarkable collaborative effort between physical and computational chemists working in academia and industry and highlights an under appreciated problem.


October 2017 - Our latest research in the matched molecular pairs area has been published in JCIM.


July 2017 - the group's latest contribution on the topic of matched molecular pair analysis is published as a book chapter in the Comprehensive Medicinal Chemistry series, volume III.


June 2017 ​- Dilanka Jayawardena Ratnayake has joined the group for her MSc project work and will be researching the ability of computational methods to distinguish routes of metabolism.


April 2017 - Joanna presented a talk describing her work validating the use of shape fingerprints for analysing biological activity at the UKQSAR group meeting at Syngenta's Zealot's Hill site.


April 2017  - Joanna presented a talk and a poster describing her work on shape fingerprints and multipoles at the American Chemical Society national meeting in San Francisco.


Feb​ruary 2017 - Iva successfully defended her thesis and is now well on the way to becoming Dr Lukac!


January 2017 - Joanna will be presenting a talk and a poster describing her research concerning shape fingerprints and shape multipoles at the American Chemical Society national meeting in San Francisco in April.


December 2016 - Joanna presented a talk at the Young Modellers Forum in Greenwich.


October 2016 - Joanna will be presenting a poster describing her latest findings about molecular shape at the next UKQSAR meeting at the ICR, Sutton in October.


May 2016 - Joanna will be presenting a talk describing her research on molecular shape at the Eurocup OpenEye users' meeting in June.


May 2016 - Andrew will be presenting a talk about molecular shape at the Sheffield chemoinformatics meeting in July.


May 2016 - Nick Lewis has joined the group for his MSc project work and will be researching the link between molecular shape and CNS activity.


March, 2016 - Iva was selected as one of the winners of the ACS CINF section Scholarship for Scientific Excellence. This was for her poster about matched molecular pairs.


March, 2016 - Iva is presenting two posters and a talk at the American Chemical Society National Meeting in San Diego, California.  She is presenting a poster on her matched pairs work and her experimental studies and giving a talk about theoceptors for Lactate Dehydrogenase A.


January, 2016 - Georgia Lane, Stephen Messham and Nasser Alyami three LJMU Pharmacy students have joined the group to undertake their final year research projects. They will be investigating drug-drug interactions using docking, the influence of shape on solubility and melting point and inhibitors of DAAO.


November, 2015 - Joanna will be presenting a poster about her work on Shape Fingerprints and Iva will be giving a talk about her work on Thermodynamics of Binding and Theoceptors at this year's YMF meeting at the Old Naval College in Greenwich

 

October, 2015 - Simon Barlow, one of LJMU's ACAPS students has joined the group for his final year project and will be investigating QM approaches to understanding structure-kinetics relationships


October, 2015 - the group's latest paper (at Med Chem Comm) describes the reaction of some chlorothiazoles with glutathione


July, 2015 - the group's new blog has been started - look out for thrilling science and comment


July, 2015 - Iva's first paper with the group has been published in Molecular Informatics: 


June 2015 - Iva will be presenting her PhD research at the European School of Medicinal Chemistry in Urbino, Italy for which she received a fellowship from the European Federation for Medicinal Chemistry


June, 2015 - Iva will be presenting her findings about the thermodynamics and kinetics of protein-ligand interactions at Biophysics in Drug Discovery in Strasbourg, France


May, 2015- Joanna will be presenting her poster "The Analysis and Validation of Shape Fingerprints" ​ at OpenEye EuroCUP VIII  in Darmstadt, Germany


May, 2015- Iva will be presenting her poster "Matched molecular pairs-big data for medicinal chemistry? "  ​at the Innovation Awards event taking place at the "Policy-making in the Big Data Era: Opportunities and Challenges" conference at the University of Cambridge


February, 2015- ​Andrew's latest article on protodeboronation of neat boronic acids has been published in Organic and Biomolecular Chemistry