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Theoretical evidence that Cu(I) complexation promotes degradation of S-nitrosothiols

Author(s): Toubin C; Yeung DY; English AM; Peslherbe GH;

The degradation of S-nitrosothiols (RSNOs) to release NO is believed to be catalyzed by CuI ions, but the mechanism remains unclear. Kinetic experiments have shown that decomposition rates vary significantly with the chemical nature of the RSNO considered. On the basis of first-principles calculations, the catalytic role of CuI ion is investigated for the ...

Article GUID: 12475301


Effective simulations of gas diffusion through kinetically accessible tunnels in multisubunit proteins: O2 pathways and escape routes in T-state deoxyhemoglobin

Author(s): Shadrina MS; English AM; Peslherbe GH;

The diffusion of small gases to special binding sites within polypeptide matrices pivotally defines the biochemical specificity and reactivity of proteins. We investigate here explicit O(2) diffusion in adult human hemoglobin (HbA) as a case study employing the recently developed temperature-controlled locally enhanced sampling (TLES) method and vary the ...

Article GUID: 22690872


Structural determination and anticholinesterase assay of C-glycosidic ellagitannins from Lawsonia inermis leaves: A study supported by DFT calculations and molecular docking

Author(s): Orabi MAA; Orabi EA; Abdel-Sattar ES; English AM; Hatano T; Elimam H;

An ellagitannin monomer, lythracin M (1), and a dimer, lythracin D (2), along with eight known monomers (3-10) were isolated from Lawsonia inermis (Lythraceae) leaves. Lythracin M (1) is a C-glycosidic ellagitannin with a flavogallonyl dilactone moiety that participates in the creation of a ?-lactone ring with the anomeric carbon of the glucose core. Lyth ...

Article GUID: 36423882


Modeling Shows that Rotation about the Peroxide O-O Bond Assists Protein and Lipid Functional Groups in Discriminating between H2O2 and H2O

Author(s): Orabi EA; English AM;

Long associated with cell death, hydrogen peroxide (H2O2) is now known to perform many physiological roles. Unraveling its biological mechanisms of action requires atomic-level knowledge of its association with proteins and lipids, which we address here. High-level [MP2(full)/6-311++G(3df,3pd)] ab initio calculations reveal skew rotamers as the lowest-ene ...

Article GUID: 33356279


Sublethal Paraquat Confers Multidrug Tolerance in Pseudomonas aeruginosa by Inducing Superoxide Dismutase Activity and Lowering Envelope Permeability.

Author(s): Martins D, McKay GA, English AM, Nguyen D

Stressors and environmental cues shape the physiological state of bacteria, and thus how they subsequently respond to antibiotic toxicity. To understand how superoxide stress can modulate survival to bactericidal antibiotics, we examined the effect of intracellular superoxide generators, paraquat and menadione, on stationary-phase antibiotic tolerance of ...

Article GUID: 33101252


Ctt1 catalase activity potentiates antifungal azoles in the emerging opportunistic pathogen Saccharomyces cerevisiae.

Author(s): Martins D, Nguyen D, English AM

Sci Rep. 2019 Jun 24;9(1):9185 Authors: Martins D, Nguyen D, English AM

Article GUID: 31235707


Derivatization of yeast cytochrome c peroxidase with pentaammineruthenium(III).

Author(s): Fox T, English AM, Gibbs BF

Derivatization of yeast cytochrome c peroxidase with pentaammineruthenium(III).
Bioconjug Chem. 1994 Jan-Feb;5(1):14-20
Authors: Fox T, English AM, Gibbs BF
Abstract
Cytochrome c peroxidase (CCP) was derivatized using aquopentaammineruthenium(II) [a5RuIIH2O] resulting in stable, covalently-linked derivatives that were purified by cation-ex ...

Article GUID: 8199229


Mass spectral analysis of protein-based radicals using DBNBS. Nonradical adduct formation versus spin trapping.

Author(s): Filosa A, English AM

J Biol Chem. 2001 Jun 15;276(24):21022-7 Authors: Filosa A, English AM

Article GUID: 11262405


Heme nitrosylation of deoxyhemoglobin by s-nitrosoglutathione requires copper.

Author(s): Romeo AA, Capobianco JA, English AM

J Biol Chem. 2002 Jul 05;277(27):24135-41 Authors: Romeo AA, Capobianco JA, English AM

Article GUID: 11970954


S-nitrosation of Ca(2+)-loaded and Ca(2+)-free recombinant calbindin D(28K) from human brain.

Author(s): Tao L, Murphy ME, English AM

Biochemistry. 2002 May 14;41(19):6185-92 Authors: Tao L, Murphy ME, English AM

Article GUID: 11994015


Different pathways of radical translocation in yeast cytochrome c peroxidase and its W191F mutant on reaction with H(2)O(2) suggest an antioxidant role.

Author(s): Tsaprailis G, English AM

J Biol Inorg Chem. 2003 Feb;8(3):248-55 Authors: Tsaprailis G, English AM

Article GUID: 12589560


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