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 “"Protein-ligand interaction"”.
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Exploring Protein-Ligand Interaction with Rotamer-Library Based Refinement Tools
… extensively used for the predicting and refining protein sidechains, loops and tertiary structures. These refinement techniques have been expanded to allow the inclusion of protein-ligand interactions by developing and evaluating methods for creating rotamer libraries for small drug-like …
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Protein-ligand interaction studies and identification of new drug-like hits as cannabinoid receptor modulators
… the putative binding modes of Cannabis-derived ligands with CB1 and CB2 receptors, (2) the identification of novel CB1 inverse agonists, and (3) the identification of allosteric site(s) in the CB2 receptor and screening of new CB2 allosteric modulators (AMs).</p> <p>Chapter 1 describes …
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Advances in structure and small molecule docking predictions for crystallized G-Protein coupled receptors
This dissertation discusses two main aspects of protein-ligand interaction for G-Protein coupled receptors: structure predictions of the flexible loop domains and docking into these receptors. The prediction of loop structure has been long worked on in the context of native, globular proteins. In …
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Structure studies of the human class II major histocompatibility complex protein HLA-DR1
Major Histocompatibility Complex (MHC) proteins are heterodimeric membrane glycoproteins that bind antigens in the form of short peptides within the cell and present them to the T cell receptors on the surface T cells. In this thesis work, the structural aspects of the human class II MHC protein …
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Use of Structure-And Ligand-Based Drug Design Tools for the Discovery of Small Molecule Inhibitors of Cysteine Proteases for the Treatment of Malaria and Sars Infection
… be explained by a traditional analysis of the interactions (electrostatics, van der Waals or H-bond). To gain insights, a statistical thermodynamic analysis of explicit solvent in the ligand binding domain of FP-2 and FP-3 was performed that explained some of the complex trends in the SAR. …
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Targeting protein kinases to manage or prevent Alzheimer’s disease
… researched. One such strategy is to modulate protein kinases such as cyclin-dependent kinase 1 (CDK1), cyclin-dependent kinase 5 (CDK5), glycogen synthase kinase-3 (GSK-3α and GSK-3β), and the protein kinase RNA-like endoplasmic reticulum kinase (PERK). AD intervention by reduction of amyloid …
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Protein kinases: Structure modeling, inhibition, and protein-protein interactions
<p>Human protein kinases belong to a large and diverse enzyme family that contains more than 500 members. Deregulation of protein kinases is associated with many disorders, and this is why protein kinases are attractive targets for drug discovery. Due to the high conservation of the ATP binding …
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Identification, kinetic and structural characterization of small molecule inhibitors of aldehyde dehydrogenase 3a1 (Aldh3a1) as an adjuvant therapy for reversing cancer chemo-resistance
ALDH isoenzymes are known to impact the sensitivity of certain neoplastic cells toward cyclophosphamides and its analogs. Despite its bone marrow toxicity, cyclophos-phamide is still used to treat various recalcitrant forms of cancer. When activated, cyclo-phosphamide forms aldophosphamide that can …
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Development and Application of a quantitative Mass spectrometry based Platform for Thermodynamic Analysis of Protein interaction Networks
<p>The identification and quantification of protein-protein interactions in large scale is critical to understanding biological processes at a systems level. Current approaches for the analysis of protein -protein interactions are generally not quantitative and largely limited to certain types of …