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 28 for “"chemical libraries"”.
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Generation of unique chemical libraries by combinatorial means
Thesis (M.Eng.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 2000.
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Approaches to carbohydrate-based chemical libraries : the evolution of glycotides
Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Chemistry, 1995.
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Exploiting Chemical Libraries to Identify and Characterize Novel Bioactives with Efficacy Against Pathogenic Candida Species
… hit molecule from the University of Tokyo’s Core Chemical Library, NP-BTA, a compound predicted to inhibit the C. albicans glutaminyl tRNA synthetase Gln4. Co-crystallography and biochemical studies identified NP-BTA’s binding mechanism, and microbiological approaches confirmed that the Met496 …
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Using Capillary Electrophoresis for High-Throughput Molecular Screening
Advances in the development of DNA-encoded chemical libraries have necessitated rapid selection strategies to aid in molecular discovery. Encoded chemical libraries are composed of thousands of unique (potential) drug molecules, each encoded with a corresponding unique DNA sequence, allowing for …
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The Identification and Development of Small Molecule Inhibitors of Amyloid β Aggregation
… potential of this assay, a selection of novel chemical libraries developed in the Spring research group was screened, resulting in the identification of a key library of interest. The inhibitory activity of the lead compound from this collection was validated using a variety of biophysical …
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Application of foundation models for molecular representation in cancer drug discovery and precision oncology
… screening technologies, the size of chemical space presents a significant challenge: it is not feasible to experimentally screen all potential drug-like molecules. Most commercially available chemical libraries consist of molecules that are synthesized on demand from pre-existing …
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STRUCTURE-BASED COMPUTATIONAL MODELING OF PROTEIN-LIGAND INTERACTIONS - APPLIED TO PROTEINS INVOLVED IN HUMAN DISEASES
… structure-based virtual screening of large chemical libraries is commonly performed against static X-ray and NMR structures. However, proteins are dynamic macromolecules occupying different conformational spaces. Consequently, different protein structures of the same protein could exhibit …
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Investigation of the efficacy of identified acetolactate synthase inhibitors, peptidyl cysteine protease inhibitors, thiolactomycins, and thiosemicarbazone compounds against Mycobacterium tuberculosis
… DOTS strategy in 182 countries. Moreover, new chemical libraries of potential antituberculosis drugs have been designed and synthesised. We therefore assessed 121 derivatives from the acetolactate synthase inhibitors, cysteine protease inhibitors, thiosemicarbazones, and thiolactomycins classes …
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Optimization of chemical reagent storage and distribution at Novartis Institutes for BioMedical Research
… a screening deck of highly diverse, proprietary chemical compounds. In contrast with many of its peers, Novartis relies strongly on combinatorial chemistry to populate its screening deck. The Chemical Libraries (CLI) group is responsible for this approach at Novartis and delivers more than …
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Chemical biology of matrix metalloproteases
… of a??Click Chemistrya?? in constructing focused chemical libraries, we have been able to apply this strategy to synthesise a 96-membered library of metalloprotease inhibitors followed by in situ screening. Moreover by using the same strategy, we successfully demonstrate that the facile synthesis …
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New aminoquinoline antimalarial cysteine protease inhibitors based on the isatin natural product scaffold
… validated starting point for the design of chemical libraries directed at the intended target due to its privileged nature. Included in the design of these isatin derivatives is the thiosemicarbazone moiety previously demonstrated to inhibit cysteine proteases from mUltiple protozoan …
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Small molecule inhibitors of steroid receptors for breast and prostate cancer
… aimed at identifying and characterizing new chemical entities with therapeutic potential in breast and prostate cancer treatment. Reported here are two inhibitors that antagonize androgen receptor (AR) function and one that suppresses estrogen receptor (ER) signaling. Moderate-to-high …
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Synthetic and mechanistic studies to expand the scope of alkyne metathesis dynamic covalent chemistry
… synthesis of diverse molecular architectures and chemical libraries which are of broad interest in a number of chemical disciplines. As part of the greater subset of molecular self-assembly processes, DCC allows for the assembly of complex molecules from simpler precursors through reversible …
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OPENING NEW CHEMICAL SPACE IN DRUG DISCOVERY
… living systems. Screening collections or libraries of small molecules is the most common way to identify new chemical modulators of protein function and constitutes one of the bases of medicinal chemistry. While a general consensus has emerged that library size is not decisive, the concept …
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Development and Application of a Novel Assay for Rapid Identification of Cellular Prion Protein Modulators
… of downregulating PrPC levels. A broad range of chemical libraries, including FDA/EMA-approved drugs and computationally selected candidates, were screened, leading to the identification of promising PrP suppressors. Additionally, a dedicated screening campaign of marine natural products was …
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Small Molecules as Probes for Cell Division and Intracellular Transport
… processes. Phenotype-based screens with chemical libraries have been used to identify such inhibitors. However, probes for most proteins are still not available, and the requirements on compound collections to yield such probes are not well understood. Here I present two approaches to …
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Using a chemical genetics approach to dissect the nitrogen signalling pathway in Arabidopsis
… This project, for the first time, adopts a chemical genetics approach to investigate the feedback regulatory pathway that links the plant’s N status to expression of the NRT2.1 nitrate transporter gene. A novel chemical screening platform was developed that was designed to be used in …
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Developing as assay to screen inhibitors for various ATP-dependent ligases
… ligases from natural product pools as well as chemical libraries. The binding affinities to Q-sepharose resin of a nicked DNA substrate (created from a 30-mer hairpin oligonucleotide and complementary 32P-labelled 6-mer oligonucleotide) and its sealed, ligated product (36-mer) were determined. …
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Synthesis and Structure Activity Relationship Studies of a Natural Product-Derived Compound Library
… programs focus on the production of large chemical libraries by combinatorial synthesis. While hundreds of thousands of compounds have been made in this way, only one FDA approved drug has been made by de novo synthesis. Compounds made by combinatorial methods lack much of the complexity …
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