Browsing CHEM Faculty Scholarship by Title
Now showing items 209-228 of 493
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In silico studies of small molecule interactions with enzymes reveal aspects of catalytic function
(MDPI AG, 2017-07-14)Small molecules, such as solvent, substrate, and cofactor molecules, are key players in enzyme catalysis. Computational methods are powerful tools for exploring the dynamics and thermodynamics of these small molecules as ... -
Inactivation of human neutrophil elastase by 1,2,5-thiadiazolidin-3-one 1,1 dioxide-based sulfonamides
(Elsevier, 2008-01-15)The interaction of a series of 1,2,5-thiadiazolidin-3-one 1,1 dioxide-based sulfonamides with neutrophil-derived serine proteases was investigated. The nature of the amino acid component, believed to be oriented toward the ... -
Incorporation of thiolate donation using 2,2'-dithiodibenzaldehyde: complexes of a pentadentate N2S3 ligand with relevance to the active site of Co nitrile hydratase
(Elsevier, 2007-10-01)The use of 2,2'-dithiodibenzaldehyde (DTDB) as a reactant for incorporating thiolate donors into the coordination sphere of a transition metal complex without the need for protecting groups is expanded to include the ... -
Influence of "alternative" C-terminal amino acids on the formation of [b3 + 17 + Cat]+ products from metal cationized synthetic tetrapeptides
(John Wiley and Sons, 2004-05-01)The aim of this study was to investigate the dissociation patterns, and in particular the relative abundance of [b(3) + 17 + Cat](+), for peptides with C-termini designed to allow transfer of the -OH required to generate ... -
Influence of a 4-aminomethylbenzoic acid residue on competitive fragmentation pathways during collision-induced dissociation of metal-cationized peptides
(John Wiley and Sons, 2007-01-01)Formation of [bn+17+cat]+ is a prominent collision-induced dissociation (CID) pathway for Li+- and Na+-cationized peptides. Dissociation of protonated and Ag+-cationized peptides instead favors formation of the rival ... -
Influence of a ring substituent on the tendency to form H(2)O adducts to Ag(+) complexes with phenylalanine analogues in an ion trap mass spectrometer
(John Wiley and Sons, 2002-04-01)In a previous report we showed that certain binary Ag(+)-amino acid complexes formed adduct ions by the attachment of a single water and methanol molecule when stored in an ion trap mass spectrometer: complexes with aliphatic ... -
Influence of amino acid side chains on apparent selective opening of cyclic b5 ions
(Springer, 2010-06-01)In this study, the possible influence of acidic, basic, and amide side chains on the opening of a putative macrocyclic b ion (b(5)(+)) intermediate was investigated. Collision induced dissociation (CID) of b(5) ions was ... -
Influence of size on apparent scrambling of sequence during CID of b-type ions
(Springer, 2009-11-01)We investigated the influence of peptide size on the apparent loss of sequence during collision-induced dissociation (CID) of b ions using a group of peptides containing from between 4 and 10 residues. Although scrambling ... -
Infrared multiple photon dissociation spectroscopy of group I and group II metal complexes with Boc-hydroxylamine
(WILEY-BLACKWELL, 2013-08-30)RATIONALE Hydroxamates are essential growth factors for some microbes, acting primarily as siderophores that solubilize iron for transport into a cell. Here we determined the intrinsic structure of 1:1 complexes between ... -
Infrared multiple photon dissociation spectroscopy of sodium and potassium chlorate anions
(John Wiley and Sons, 2010-01-01)The structures of gas-phase, metal chlorate anions with the formula [M(ClO(3))(2)](-), M = Na and K, were determined using tandem mass spectrometry and infrared multiple photon dissociation (IRMPD) spectroscopy. Structural ... -
Infrared multiple-photon dissociation spectroscopy of group II metal complexes with salicylate
(John Wiley and Sons, 2011-07-15)Ion trap tandem mass spectrometry with collision-induced dissociation, and the combination of infrared multiple-photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) calculations, were used to ... -
The inherent high vulnerability of dopaminergic neurons toward mitochondrial toxins may contribute to the etiology of Parkinsons disease
(Medknow, 2016-03-16)Although the exact mechanism(s) of the degeneration of dopaminergic neurons in Parkinson's disease (PD) is not well understood, mitochondrial dysfunction is proposed to play a central role. This proposal is strongly ... -
Inhibition of Dengue virus and West Nile virus proteases by click chemistry-derived benz[d]isothiazol-3(2H)-one derivatives
(Elsevier, 2012-02)Two click chemistry-derived focused libraries based on the benz[d]isothiazol-3(2H)-one scaffold were synthesized and screened against Dengue virus and West Nile virus NS2B-NS3 proteases. Several compounds (4l, 7j-n) displayed ... -
Inhibition of human leukocyte elastase by derivatives of N-hydroxysuccinimide. A structure-activity-relationship study
(American Chemical Society, 1989-07-01)A series of compounds derived from 3-alkyl-N-hydroxysuccinimide have been synthesized and their inhibitory activity toward human leukocyte elastase has been investigated. Compounds having an isobutyl or isopropyl group at ... -
Inhibition of human leukocyte elastase by phosphate esters of N-hydroxysuccinimide and its derivatives: direct observation of a phosphorylated enzyme by 31P nuclear magnetic resonance spectroscopy
(American Chemical Society, 1991-04-30)A series of phosphate esters derived from N-hydroxysuccinimide and 3-alkyl-N-hydroxysuccinimide have been synthesized and found to be potent time-dependent irreversible inhibitors of human leukocyte elastase (HLE). The ... -
Inhibition of human leukocyte proteinase 3 by a novel recombinant serine proteinase inhibitor (LEX032)
(Elsevier, 1997-04-28)The interaction of a bioengineered serpin (LEX032) with human leukocyte proteinase 3 (PR 3) has been investigated. LEX032 was found to be a time-dependent inhibitor of PR 3, forming a highly-stable enzyme-inhibitor complex ... -
Inhibition of norovirus 3CL protease by bisulfite adducts of transition state inhibitors
(PERGAMON-ELSEVIER SCIENCE LTD, 2013-01)Noroviruses are the most common cause of acute viral gastroenteritis, accounting for >21 million cases annually in the US alone. Norovirus infections constitute an important health problem for which there are no specific ... -
Inhibition of noroviruses by piperazine derivatives
(Elsevier, 2012-01)There is currently an unmet need for the development of small-molecule therapeutics for norovirus infection. The piperazine scaffold, a privileged structure embodied in many pharmacological agents, was used to synthesize ... -
Inhibition of serine proteases by a new class of cyclosulfamide-based carbamylating agents
(Elsevier, 2008-07-15)A new class of carbamylating agents based on the cyclosulfamide scaffold is reported. These compounds were found to be efficient time-dependent inhibitors of human neutrophil elastase (HNE). Exploitation of the three sites ... -
Inhibition of serine proteases by functionalized sulfonamides coupled to the 1,2,5-thiadiazolidin-3-one 1,1 dioxide scaffold
(Elsevier, 2001-06-01)A challenge associated with drug design is the development of selective inhibitors of proteases (serine or cysteine) that exhibit the same primary substrate specificity, that is, show a preference for the same P(1) residue. ...