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.
Results
Showing 1 to 20 of 338 for “"Allosteric"”.
-
Designing Allosteric Inhibitors of Thrombin
… that thrombin may be better regulated through an allosteric process mediated by small molecules binding to either exosite I or II. An appropriately designed allosteric regulator that reduces the procoagulant signal in a finely tuned manner may maintain a delicate balance between procoagulant and …
-
Allosteric Interactions in Coordination Cages
… Synthetic receptors that can mimic this allosteric binding behaviour extend the potential applications of host-guest chemistry to programmable molecular systems. Modulating the degree and magnitude of interaction between components within these systems enables the design of chemical …
-
Computational prediction of allosteric nucleic acids
Selected nucleic acid binding species (aptamers) have been shown to undergo conformational changes in the presence of ligands, and have been adapted to function as biosensors. We were interested in whether the secondary structures of aptamers could be rationally engineered to undergo ligand …
-
Allosteric activation of periplasmic HtrA proteases
… stabilize an inactive conformation of DegS. Allosteric activation occurs as a consequence of the linked binding of unassembled outer-membrane proteins to the PDZ domains and RseA to the DegS active sites. In Chapter 2, I probe the pathway of communication between the PDZ and protease domains …
-
Studies on rationally designed, allosteric, coagulation inhibitors
Heparin is a natural allosteric modulator, with numerous structural and conformational variations leading to many reports of bleeding complications and variations in anticoagulant effects. A flurry of research has been directed towards understanding this puzzle. This work entails the utilization of …
-
Understanding Allosteric Arginine Mutations Using Macromolecular Rate Theory
… This thesis explores the effects of allosteric arginine mutations on the temperature dependence of enzyme rates through the lens of MMRT and evolution using the model enzyme MalL. An in-depth analysis of a previously characterised arginine mutant is described along with four …
-
Yeast Chorismate Mutase: Molecular Evolution of an Allosteric Enzyme
Die Chorismatmutase (CM, EC 5.4.99.5), kodiert durch ARO7, katalysiert die Claisen-Umlagerung von Chorismat zu Prephenat in der Biosynthese von Tyrosin und Phenylalanin. Das relativ kleine, dimere Enzym der Hefe Saccharomyces cerevisiae wird allosterisch durch Tryptophan aktiviert und allosterisch …
-
Leveraging Local Perturbations to Map Allosteric Networks of Phosphatases
… highly validated as a therapeutic target but no allosteric inhibitors have been approved for clinical use. This is largely because our understanding of the mechanisms underlying allostery in PTP1B remains limited, despite the discovery of putative allosteric sites in PTP1B.</p> <p>In the work …
-
GPU-Optimized Graph Theory Analysis of Allosteric Protein Signaling Networks
Graph algorithms have been widely applied to science and engineering problems, but the practical applications of graph algorithms to every-growing, large data sets requires significant computational time, motivating the need for efficient, parallel solutions on modern computing architectures. Here, …
-
Adenosine triphosphate is an allosteric inhibitor of coxsackievirus B3 3Dpol
… dynamics of the protein that are sensitive to allosteric effects of various mutations have been shown to be important determinants of fidelity. The research presented in this thesis provides the first direct evidence of allosteric regulation of 3Dpol by a small molecule. Inhibition assays …
-
Identification of Novel Allosteric Regulators of Human Erythrocyte Pyruvate Kinase
… procedures. Our aim is to identify novel allosteric modifiers of R-PK using a combination of computational studies and enzyme activity assays. Such compounds could be of medical interest. Human R-PK was expressed in DH-5α cells and was purified by the procedure reported by Wang et al57. …
-
SYNTHESIS, TESTING AND CRYSTALLOGRAPHIC STUDIES OF ALLOSTERIC MODIFIERS OF HEMOGLOBIN
… as protons and 2,3-diphosphoglycerate. Synthetic allosteric effectors of Hb (AEHs) are also known to modulate Hb oxygen affinity, showing potential for the treatment of sickle cell disease (SCD) and ischemic-related diseases. In this project, AEHs which increase Hb affinity for oxygen, including …
-
Building a rational model for the identification of allosteric sites
… has yet been identified to distinguish these allosteric sites. Al-Shar'i developed a new technique using a combination of fluctuation analysis, cross correlation, simple intrasequence difference (SID) and energy analysis.3 A potential site has been determined for the protein kinase DYRK2 using …
-
Pharmacology of a novel biased allosteric modulator for NMDA receptors
… approach to regulate NMDAR receptors is thorough allosteric modulators that could allow cell type or circuit-specific modulation, due to widely distributed GluN2 expression, without global NMDAR overactivation59,65,122. In one study, we hypothesized that the compound CNS4 selectively modulates …
-
DISCOVERY AND BIOPHYSICAL CHARACTERIZATION OF ALLOSTERIC INHIBITORS OF FACTOR XIa (FXIa)
… there have been no inhibitors which act via an allosteric mechanism. The aim of this project was to screen for allosteric inhibitors of FXIa from of pool of sulfated small-molecules.These molecules were primarily designed to act as heparin mimetics; heparin being a natural anti-coagulant. These …
-
Computational and Pharmacological Approaches to Design Novel Allosteric Thymidylate Synthase Inhibitors
<p>The goal of this research is to develop new allosteric thymidylate synthase (TS) inhibitors in an effort to reduce cancer drug resistance. Resistance is associated with elevation in TS levels upon exposure to active site targeted drugs. Human TS exists in conformational equilibrium between …
Page 1 of 17