• Friday, November 29, 2013

    Hopkins Lab joins "Meta-QSAR" collaboration

    The Hopkins Lab has joined a new EPSRC-funded collaboration whose aim to apply “meta-learning” to the ChEMBL database of bioactivity to find patterns in what type of machine learning works best for what type of problem.

    QSAR (Quantitative Structure-Activity Relationship) models are regression or classification models which relate a set of "predictor" variables (X) to a response variable (Y). They can be used to predict bioactivity (e.g. kinase inhibition) from a chemical structure and thereby guide drug discoverers to design more potent inhibitors. The predictors consist of physico-chemical properties or molecular descriptors of compounds while the response variables would typically be some kind of biological activity.

    The aim of the collaboration is to use newly available public domain chemoinformatics databases to systematically run extensive comparative QSAR experiments. We will then generalize these results to learn which target-type/ compound-type/compound-representation/learning-method combinations work best together. This is known as “meta-learning” - using machine learning to learn about QSAR leaning. This knowledge will be made publically available to guide future QSAR learning and hopefully decrease the time and cost of developing new drugs.

    The other members of the Meta-QSAR collaboration come from the labs of Professor Ross King from the University of Manchester and Dr Laris Soldatova from Brunel University in London.

  • Sunday, September 1, 2013

    Hopkins lab welcomes new student

    Claire Shepherd joins the Hopkins/Navratilova biophysics group to work on membrane protein biophysics. Claire graduated with a first in Medical Biochemistry from the University of Manchester where she was awarded the DS Jackson Prize for Most Outstanding Student.

  • Wednesday, February 20, 2013

    Hopkins lab joins EU consortium to generate innovative kinase inhibitor drugs
    The Hopkins lab recently joined a prestigious €1.98m European Union Framework Programme 7 (FP7) project whose aim is to develop pre-clinical candidate drugs for the topical treatment of inflammatory diseases such as atopic dermatitis, psoriasis and inflammatory bowel disease.
    The pan-European consortium is led by Creabilis - a late clinical stage European biotechnology company specialising in the development of treatments in dermatology, for inflammation and pain whose Low Systemic Exposure (LSE) technology generates innovative molecules with unique physico-chemical and pharmacological characteristics, combining high local concentration with low systemic absorption.
    The University of Dundee's role is to use a novel systems biology and network pharmacology approach to help develop novel LSE candidates. 
    More details can be found here
  • Friday, January 25, 2013

    Hopkins lab spinout featured in Nature's SciBX

    Our spin out company ex scientia has been featured in an article in Nature's SciBX: Science–Business eXchange. The article can be accessed from here (subscription required).

  • Saturday, December 22, 2012

    New grant for Hopkins lab.

    The Hopkins lab has been awarded a €1 million grant from IMI for Kinetics In Drug Discovery Consortium. More details can be found here.

  • Friday, December 21, 2012

    Hopkins lab paper featured in F1000.

    Our recent Nature paper "Automated design of ligands to polypharmacological profiles" has been reviewed by F1000.

  • Thursday, December 13, 2012

    Hopkins lab paper covered by BBC News

    The publication of our recent Nature paper has been covered by BBC News

  • Wednesday, December 12, 2012

    Hopkins lab paper published in Nature

    Automated design of ligands to polypharmacological profiles. Jérémy Besnard, Gian Filippo Ruda, Vincent Setola, Keren Abecassis, Ramona M. Rodriguiz, Xi-Ping Huang, Suzanne Norval, Maria F. Sassano, Antony I. Shin, Lauren A. Webster, Frederick R. C. Simeons, Laste Stojanovski, Annik Prat, Nabil G. Seidah, Daniel B. Constam, G. Richard Bickerton, Kevin D. Read, William C. Wetsel, Ian H. Gilbert, Bryan L. Roth & Andrew L. Hopkins Nature 492, 215–220 (13 December 2012)

  • Wednesday, October 10, 2012

    New LiSAB appointment for Professor Hopkins

    Professor Andrew Hopkins has been appointed to serve on the Scottish Government’s Life Science Advisory Board LiSAB.

  • Tuesday, August 21, 2012

    QED featured as "landmark" paper in Bio-IT world
  • Friday, April 13, 2012

    Innovator award for Richard Bickerton

    Richard Bickerton has been jointly awarded the CLS Innovator of the Year 2012.

  • Tuesday, March 6, 2012

    QED highlighted in Nature Medicine.
  • Wednesday, February 15, 2012

    F1000 review for QED

    QED reviewed in Faculty of 1000

  • Wednesday, January 25, 2012

    QED paper featured in Nature

    Drug Discovery: Chemical Beauty Contest. Nature (2012), 481, 455-456

  • Tuesday, January 24, 2012

    QED highlighted in Nature Reviews Drug Discovery.

    Medicinal Chemistry: Shades of chemical beauty. Nature Reviews Drug Discovery 11, 107 (February 2012) doi:10.1038/nrd3663