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 103 for “"; Structural motifs"”.
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Characterisation of the structural motifs Involved in the cleavage and secretion of human angiotensin-converting enzyme
Angiotensin converting enzyme is an ectoprotein prone to regulated proteolytic solubilisation by an as yet unknown protease or sheddase. Proteolytic cleavage of membrane proteins is an essential cellular process that controls their expression and function, and modulates cellular and physiological …
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Structural studies of organic crystals of pharmaceutical relevance. Correlation of crystal structure analysis with recognised non-bonded structural motifs in the organic solid state
… of such materials and through the use of structural techniques and correlation of these results with crystal structural database to establish the presence of physical motifs in selected systems. Structural motifs were identified by the use of single crystal and crystal packing analysis on …
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Neue chirale Triazoliumsalze in der Carben-katalysierten intramolekularen gekreuzten Benzoin-Reaktion
… This alpha-hydroxy-ketones are structural motifs of many bioactive natural products. Thus, synthetic concepts for the synthesis of (S)-eucomol and (S)-lacinilen C methylether have been followed. Furthermore, an efficient proline-catalyzed asymmetric intramolecular 5-enolexo aldol …
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Computational approaches to modeling the conserved structural core among distantly homologous proteins
… data for huge quantities of proteins, and 3-D structural information for a much smaller number of proteins. We introduce several algorithms that make use of the limited available structural information to classify and annotate proteins with structures that are unknown, but similar to solved …
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Tandem mass spectrometry approaches to characterizing challenging biomolecules : stapled and cyclic peptides and variants of lipid A from gram-negative bacteria
… of gram-negative bacteria, but the molecule is structurally complex and offers many challenges in terms of traditional mass spectrometry characterization. Presented in the thesis are methods to further comprehend structural motifs related to the aforementioned biomolecules. The “ornithine …
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Computational methods for the structure-based design of protein-binding peptides
… methods for structure-based design using structural motifs from the Protein Data Bank (PDB). To sample peptide structures in the context of a target protein, I mine tertiary motifs from known structures in the PDB to identify surface-complementing fragments or “seeds”. I show that …
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Mathematical methods for protein structural motif recognition
In this thesis, two algorithms for protein structural motif recognition are presented. A program is described which successfully recognizes the occurrence of the right-handed parallel 8-helix fold from protein sequence data alone. When run on sequences of unknown structure the program identifies …
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Elucidation of the Specificity of Neuroactive Steroids and Related Compounds at the at the Vesicular Glutamate Transporter
… VGLUTs, has revealed importance of particular structural motifs. Among these structural motifs, one of the most important is that of the "embedded glutamate" which mimics the endogenous substrate of the transporter. With respect to potency, the substitution of a lipophilic moiety at the C6 …
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Elucidation of the Specificity of Neuroactive Steroids and Related Compounds at the at the Vesicular Glutamate Transporter
… VGLUTs, has revealed importance of particular structural motifs. Among these structural motifs, one of the most important is that of the "embedded glutamate" which mimics the endogenous substrate of the transporter. With respect to potency, the substitution of a lipophilic moiety at the C6 …
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Predicting the beta-trefoil fold from protein sequence data
… and the atomic level, to predict the beta-structural motifs in protein sequences. A program called Wrap-and-Pack implements this method, and is shown to recognize β-trefoils, an important class of globular β-structures, in the Protein Data Bank with 92% specificity and 92.3% sensitivity in …
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Folding patterns in protein sequences
… conserved to maintain function at the cost of structural stability. Combining this observation with a fingerprint analysis of a representative dataset of globular proteins, here we explore folding signals affecting sequence conservation and, in particular, motifs. Initially, we aimed at …
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Total synthesis and study of the antilipoperoxidant peridinin, synthesis of versatile MIDA boronate building blocks, and a general strategy for the synthesis of polyenes
… we are interested in identifying recurring structural motifs present in small molecule natural products and transforming these motifs into MIDA boronate building blocks. Toward this goal, cis-olefins, 1,1-disubstituted olefins, and the 2-pyridyl moiety are three highly recurring motifs. To …
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GENOME-WIDE IDENTIFICATION OF RNA SENSORS IN PROKARYOTES AND EUKARYOTES
… outside of non-coding regions and with new structural motifs. We identified a precursor tmRNA that acts as an RNA sensor for FMN to facilitate tmRNA maturation as well as an entirely new class of eukaryotic RNA sensors that recognize vitamin B2 (FMN) to control gene expression. This …
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CHARACTERIZATION OF THE RNA BINDING MODE OF A PLATINUM-ACRIDINE AGENT
… Our goal was to determine if specific RNA structural motifs are susceptible to intercalator-driven platination. Acidic digestion assays in conjunction with liquid chromatography-electrospray mass spectrometry analysis (LC-ESMS) was used to determine the specific bases modified by platinum. …
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Structural supramolecular constructs of spheres and tubes
… that are in part or substrates for larger structural motifs that resemble spheres or tubes. The first project used donut shaped cucurbituril and through functionalization realized a new analogue, a greener synthesis for biologically important molecules called hydantoins and a new crystal …
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I. Persistent radicals for dynamic nuclear polarization : II. Synthesis of substituted indoles
… heterocycles because of their presence as common structural motifs in natural products and pharmaceutical candidates. Second generation Danheiser benzannulation-tandem cyclization approach was developed and applied toward the synthesis of highly substituted indoles. Substrate synthesis, …
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Diverse primary and secondary structural features are associated with Y complex-dependent mRNA maturation in B. subtilis
… there are no other detectable sequence or structural motifs in the regions around the 21 B. subtilis sites. This suggests that Y complex-dependent processing and, more broadly, mRNA processing in B. subtilis, is more complicated than previously anticipated.
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New axially chiral amine organocatalysts
… highly functionalized or previously inaccessible structural motifs using this relatively new type of catalysis. Firstly, methodology is reported for the synthesis and use of tertiary amine organocatalysts based on the now ubiquitous binaphthyl backbone. The tertiary amines synthesized were shown …
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A Diversity-Oriented Synthesis Approach to Functionalized Azaheterocycles using Cyclic Alpha-Halo Eneformamides
… morpholines, and thiomorpholines are common structural motifs found in a wide range of pharmaceuticals such as carmegliptine, levofloxacin, thioridazine, claviciptic acid, and azithomycin. As a result, there is a strong desire to construct highly functionalized nitrogen-bearing ring scaffolds …
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Determination of the Raman Spectra of Molten ZnCl2 and Thermophysical Properties of Polymerized C60 Solids Using Atomistic Computational Techniques
… before available insights on the short range structural ordering in ZnCl_2, melts. In particular, using ab initio molecular dynamics (AIMD) the different structural motifs present in molten ZnCl_2 were determined at 600K. The accuracy of the result was confirmed by the good agreement between …
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