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Metals in Chemistry and Biology: Computational Chemistry Studies

Description: Numerous enzymatic reactions are controlled by the chemistry of metallic ions. This dissertation investigates the electronic properties of three transition metal (copper, chromium, and nickel) complexes and describes modeling studies performed on glutathione synthetase. (1) Copper nitrene complexes were computationally characterized, as these complexes have yet to be experimentally isolated. (2) Multireference calculations were carried out on a symmetric C2v chromium dimer derived from the crys… more
Date: May 2007
Creator: Dinescu, Adriana
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Nucleotide Inhibition of Glyoxalase II

Description: The glyoxalase system mediates the conversion of methylglyoxal, a toxic ketoaldehyde, to D-lactic acid. The system is composed of two enzymes, glyoxalase I (Glo-I) and glyoxalase II (Glo-II), and exhibits an absolute requirement for a catalytic quantity of glutathione (GSH). Glo-I catalyzes the isomerization of a hemithioacetal, formed non-enzymatically from methylglyoxal and GSH, to the corresponding a -D-hydroxyacid thioester, s-D-lactoylglutathione (SLG). Glo-II catalyzes the irreversible br… more
Date: May 1999
Creator: Gillis, Glen S
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Synthesis and Study of Bioactive Compounds: I. Pyrethroids; II. Glutathione Derivatives

Description: Part I: In the first study of pyrethroids, twenty-one novel pyrethroid esters bearing strong electron-withdrawing groups (e.g., halomethylketo and nitro groups) in the double bond side chain of the cyclopropane acid moiety have been synthesized and evaluated for insect toxicity. Rather than the usually employed Wittig reaction for these syntheses, the novel pyrethroid acid moieties were prepared by amino acidcatalyzed Knoevenagel condensations under mild conditions. In the second study of pyre… more
Date: May 1995
Creator: Chyan, Ming-Kuan
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries

Modeling wild type and mutant glutathione synthetase.

Description: Glutathione syntethase (GS) is an enzyme that belongs to the ATP-grasp superfamily and catalyzes the second step in the biosynthesis of glutathione. GS has been purified and sequenced from a variety of biological sources; still, its exact mechanism is not fully understood. Four highly conserved residues were identified in the binding site of human GS. Additionally, the G-loop residues that close the active site during catalysis were found to be conserved. Since these residues are important for … more
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Date: August 2004
Creator: Dinescu, Adriana
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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The Mechanisms of Human Glutathione Synthetase and Related Non-Enyzmatic Catalysis

Description: Human glutathione synthetase (hGS) is a homodimeric enzymes that catalyzes the second step in the biological synthesis of glutathione, a critical cellular antioxidant. The enzyme exhibits negative cooperativity towards the γ-glutamylcysteine (γ-GC) substrate. In this type of allosteric regulation, the binding of γ-GC at one active site significantly reduces substrate affinity at a second active site over 40 Å away. The presented work explores protein-protein interactions, substrate binding, and… more
Date: May 2015
Creator: Ingle, Brandall L.
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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Synthesis and Study of Glutaryl-S-(ω-aminoalkyl)-L-cysteinylglycines as Inhibitors of Glyoxalase I

Description: This thesis describes the synthesis and preliminary enzymatic study of glutaryl-S-(8-aminooctyl)-L-cysteinylglycine and glutaryl-S-(10-aminodecyl)-L-cysteinylglycine as inhibitors of glyoxalase I. These analogs of glutathione were prepared as potential ligands for affinity chromatography purification of glyoxalase I. The compounds were synthesized by a seven-step procedure in overall yields of 24% for the octyl analog and 33% for the decyl analog. Both compounds exhibited mixed type inhibition … more
Date: May 1975
Creator: Phillips, Gerald Wayne
Item Type: Refine your search to only Thesis or Dissertation
Partner: UNT Libraries
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