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Showing 1 to 5 of 5 for “"fragment screen"”.

  1. A fragment-based approach towards understanding molecular recognition of 4’-phosphopantetheine adenylyltransferase from Mycobacterium abscessus

    … in this thesis details the application of a fragment-based approach targeting 4’-phosphopantetheine adenylyltransferase (PPAT) from Mycobacterium abscessus (Mabs). A fragment screen of the Abell laboratory 960-member library was conducted by Dr Sherine Thomas (Department of Biochemistry, …

    cambridge Repository record for A fragment-based approach towards understanding molecular recognition of 4’-phosphopantetheine adenylyltransferase from Mycobacterium abscessus (opens in a new tab)

  2. To Design and Develop Semi-Saturated and Unsaturated Bicyclic Heterocycles for Fragment-Based Drug Discovery (FBDD) Campaigns

    The concept of Fragment-Based Drug-Discovery (FBDD) seeks to overcome current issues associated with High-Throughput Screening (HTS) for the identification of novel hits, which are ultimately elaborated into leads and drug candidates. This thesis focuses on the preparation of either novel or …

    dundee Repository record for To Design and Develop Semi-Saturated and Unsaturated Bicyclic Heterocycles for Fragment-Based Drug Discovery (FBDD) Campaigns (opens in a new tab)

  3. Developing Chemical Tools for the Inhibition of Activin A Signalling

    … activin A through the use of XChem, conducting a fragment screen against mature activin A crystals. I describe the identification of twelve fragment hits that bind in the putative type I receptor binding site and the validation and optimisation of one of these fragments. I then used the structure …

    cambridge Repository record for Developing Chemical Tools for the Inhibition of Activin A Signalling (opens in a new tab)

  4. Targeting the Rho1 GTPase signalling pathway in <i>Aspergillus fumigatus</i>

    … research, I combined X-ray crystallography and fragment-based small molecule screening by BLI (Biolayer interferometry) to investigate the ligandability of <i>Af</i>Rho1. Using X-ray crystallography, the structure of <i>Af</i>Rho1 was solved and a complex structure with one of the hit fragments …

    dundee Repository record for Targeting the Rho1 GTPase signalling pathway in <i>Aspergillus fumigatus</i> (opens in a new tab)

  5. "Sugar Coat" Genetic & chemical validation of <i>Aspergillus fumigatus</i> cell wall targets

    … plant-type chitinase A1 by high-throughput screening. Analysis of the binding mode by X-ray crystallography confirmed competitive inhibition and further kinetic studies identified two compounds with selectivity towards A. fumigatus plant-type chitinases. The lead compound and a …

    dundee Repository record for "Sugar Coat" Genetic & chemical validation of <i>Aspergillus fumigatus</i> cell wall targets (opens in a new tab)