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 20 of 1306 for “"Small molecule"”.
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A small molecule synthesizer
… many advances over the last two centuries, small molecule synthesis remains a relatively complex, unsystematized, and time-intensive process practiced almost exclusively by highly trained specialists. Collectively, these limitations represent a major bottleneck in the efforts to study, …
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Understanding small molecule-protein interactions
The binding of small molecules to a protein is among the most important phenomena in the chemistry of life; the activity and functionality of many proteins depend critically on binding small molecules. A deep understanding of protein-small molecule interactions and the interplay between ligation …
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Small Molecule Inhibitors of HPV16 E6
… between HPV E6 and its partners using small molecules had the potential to re-sensitize HPV+ cells to apoptosis. To test this prediction, we screened libraries of small molecules for candidates that could block E6/caspase 8 binding, and identified several candidates from different …
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Small Molecule Binding to Disordered Proteins
… has arisen from a lack of understanding of how small molecules bind disordered proteins. In this thesis, I combine biophysical experiments and computational ensemble determination techniques (metadynamic metainference) to characterise small molecule interactions with disordered proteins. After …
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Expanding automated modular small molecule synthesis
Submission published under a 24 month embargo labeled 'Closed Access', the embargo will last until 2026-08-01
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Small molecule inhibitors of parasitic enzymes
The work presented in this thesis is threefold:-(i) development of potential novel inhibitors of cysteine proteases from the causative agents of Malaria, African sleeping sickness and Chagas disease, (ii) development of potential new and novel anti-trypanosomal inhibitors of trypanosome alternative …
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Small molecule inhibitors against enteric bacterial glycosyltransferases
… C. rodentium virulence, we aimed to find small molecular inhibitors which specifically bind to NleB. Therefore, we performed high-throughput screening (HTS) assays to identify NleB/SseK inhibitors. We identified two compounds (100066N and 102644N) that significantly inhibited NleB1, SseK1, …
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Reprogramming to Pluripotency Using Small Molecule Compounds
… stem cells (iPSCs) through the use of small molecule compounds has evolved as a potential cellular reprogramming strategy. Individually, specific small molecule compounds have previously been shown to replace reprogramming transcription factors or enhance the efficiency of cellular …
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Generating Small Molecule Fuels: (Photo)Electrochemical Catalysts
The work contained in this thesis focuses on the synthesis and electrochemistry of certain metal complexes that are involved in either catalysing production of a renewable fuel, hydrogen, or are capable of mediating the reduction of molecular nitrogen to ammonia, nitrogen fixation. Electrochemical …
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Investigating neurodegenerative diseases with small molecule modulators
… of specific aspects of these disease states. Small molecule screening in these cell culture models is a powerful method for identifying novel small molecule modulators of these disease phenotypes. Mechanistic studies of these modulators can reveal vital insights into the cellular pathways …
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Small Molecule Activation Using Transfer Hydrogenation Catalysts
Though 1 is not Lewis acidic and does not readily react with H2, the addition of a catalytic amount of acid was found to promote the hydrogenation of 1 to 1H(H). The rate of hydrogenation of 1 was found to be dependent on the identity of the acid. It was found that acids with a pKa three orders of …
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Small Molecule Modulation of Caspase Enzymatic Activity
… C-terminal to an aspartic acid residue. Small molecule modulation of caspase activity can play an important role in the study of the apoptotic cascade, the role caspases have within apoptosis, and the various diseases that arise from misregulation of apoptosis. These small molecules could …
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Investigating small-molecule inhibitors of platelet aggregation
… tools were used to virtually screen over 440,000 molecules to identify novel scaffolds possessing reasonable similarities in 3D shape and electrostatic properties in reference to the experimental P2Y12 antagonist, AZD1283. Docking of the best hits was performed against the recently solved crystal …
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Computational methods for small-molecule transparent semiconductors
… 3 describes the first-principles modeling of small-molecule transparent absorbers using perylene dimide derivatives as a case study. Chapter 4 studies principles underlying the design of molecular graph neural networks. Chapter 5 applies these modeling techniques to construct a spectral …
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Small-Molecule Control of Kinesin-5 Proteins
… cell cycle arrest. Recently, a wide variety of small molecules have been identified that possess the ability to inhibit certain Kinesin-5 motors. Such compounds, including monastrol (the first Kinesin-5 inhibitor identified), have been employed to study Kinesin-5 activity. A thorough …
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Histone Deacetylase 1: Mutagenesis And Small Molecule Studies
<p>Histone deacetylase 1 (HDAC1) has been linked to cell growth and cell cycle regulation, which makes it a widely recognized target for anticancer drugs. The 14 Å channel of Class 1 HDAC isotypes has long being hypothesized to be the exit cavity for acetate following deacetylation. The amino acids …
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Using Small Molecule Tools to Study ATPase Mechanoenzymes
… do not know how AAA proteins can be activated by small molecules. My thesis work covers the development of a chemical genetics approach to inhibit AAA proteins, starting from atriazolopyridine-based fragment that binds the AAA domain of the microtubule severing protein katanin, and the …
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Small molecule inhibition of immunoregulatory protein-protein interactions
… (PPIs) between cells, receptors, and secreted molecules. Generating and maintaining an appropriate immune response and regulation requires coordination across many cell types and components, while dysregulation of these interactions can lead to disease. A major obstacle in small molecule …
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