Puzzling through fragment hits in fragment based drug design

Pramod Nair, Alpeshkumar Malde, Alan Mark

    Research output: Contribution to conferenceAbstractpeer-review


    Fragment based drug design (FBDD) is an increasingly popular technique in rational drug design. Though individual fragments show weak potency, they form high quality interactions and can be easily combined to form potent lead molecules. Several alternative approaches can be used for fragment screening. Nevertheless X-ray crystallography remains the primary technique used to determine the mode of binding. However, the determination of the binding mode of small heteromolecular ligands in protein: ligand complexes based on medium resolution X-ray diffraction data is highly challenging1,2 and as high throughput X-ray crystallography used in FBDD often involves cocktails of fragments, validation of the proposed binding modes becomes a critical question.
    Original languageEnglish
    Publication statusPublished - 2011
    Event7th Annual SCMB Research Students Symposium - The University of Queensland, Brisbane, Australia
    Duration: 1 Nov 2011 → …
    Conference number: 7


    Conference7th Annual SCMB Research Students Symposium
    Period1/11/11 → …
    OtherThe SCMB Research Students Symposium gives participants the chance to learn about research that is being undertaken within our School and to meet the experts behind the science.


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