Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 9 of 9 for “"FBDD"”.
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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 …
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A Fragment-Based Drug Discovery Approach for the Development of Selective Inhibitors of Protein Kinase CK2
… twenty years, fragment-based drug discovery (FBDD) has emerged as a highly successful way to provide lead compounds for subsequent optimisation into drug candidates. Initial hits usually exhibit lower potency than those identified by more traditional techniques, such as High-Throughput …
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Investigation of mass spectrometry approaches for aiding fragment-based drug discovery
… particularly in fragment-based drug discovery (FBDD). The work described in this thesis focuses broadly on the application of MS techniques to aid FBDD campaigns. In Chapter 1, an overview of the strengths and limitations of MS in FBDD is presented. In Chapter 2, native MS and IM-MS were used to …
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Synthesis of a Diverse and Three-Dimensional Fragment Collection and The Development of a Novel Platform for Antibody Dual Functionalisation
… past two decades, fragment-based drug discovery (FBDD) has emerged as a powerful strategy for early-stage drug discovery. However, despite its many successes, FBDD often suffers from the lack of synthetic tractability, three-dimensionality, and structural diversity (and hence biological diversity) …
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Application of molecular mechanics polarization to fragment based drug design.
… charged species. When studying fragments in FBDD these minor interactions could have large effect in changing how well a ligand will bind to its target. After including the polarizability terms in docking a validation set of ligands (Favia et al., 2011) with GLIDE, it improved the results the …
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Targeting infectious species by Structure-guided Fragment-based Drug Discovery and in silico approach
… exploited using fragment-based drug discovery (FBDD) and in silico approaches to design unconventional antibiotics that could extend the scope of current treatment options and reverse some of the effects of living in a post-antibiotic era. Firstly, three biological targets that work as enzymes …
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Approaches Towards the Inhibition of Anti-Apoptotic Proteins
… site: -Using a Fragment-Based-Drug-Discovery (FBDD) approach twelve small molecule inhibitors of CK2 were developed. The lead molecule, 3l, inhibited the catalytic activity of CK2α by binding in the cryptic αD pocket with a Kd of 4 μM. 3l stopped proliferation of colorectal cancer cells with a …
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The Automatic Detection of Small Molecule Binding Hotspots on Proteins: Applying Hotspots to Structure-Based Drug Design
Locating a ligand-binding site is an important first step in structure-guided drug discovery, but current methods typically assess the pocket as a whole, doing little to suggest which regions and interactions are the most important for binding. This thesis introduces Fragment Hotspot Maps, a …
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Fragment-based approaches to targeting EthR from mycobacterium tuberculosis
Tuberculosis affects millions of people worldwide every year. The current treatment for TB is divided into a regimen of both first- and second-line drugs, where first-line treatments are more tolerated and require shorter treatment lengths. With rising levels of resistance, alternative treatment …