Chemistry
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Structure-guided design, synthesis and evaluation of oxazolidinone-based inhibitors of norovirus 3CL protease
(Elsevier, 2018-01-01)Acute nonbacterial gastroenteritis caused by noroviruses constitutes a global public health concern and a significant economic burden. There are currently no small molecule therapeutics or vaccines for the treatment of ... -
Ni complexes of N2S ligands with amine/imine and amine/amide donors with relevance to the active site of Ni superoxide dismutase
(Elsevier, 2018-05-01)A series of Ni complexes of the form [Ni((NNS)-S-Im)(RS)] ((NNS)-S-Im = (2-(N-(dimethylaminoethyl)iminomethyl) benzenethiolate; R = phenyl, 4-nitrophenyl, 4-fluorophenyl, 4-chlorophenyl, 4-t-butylphenyl, t-butyl), as well ... -
Linear and differential ion mobility separations of middle-down proteoforms
(American Chemical Society, 2018)Comprehensive characterization of proteomes comprising the same proteins with distinct post-translational modifications (PTMs) is a staggering challenge. Many such proteoforms are isomers (localization variants) that require ... -
Structure-guided design, synthesis and evaluation of macrocyclic and peptidomimetic inhibitors of viral proteases
(Wichita State University, 2017-07)Human noroviruses are the primary cause of non-bacterial acute gastroenteritis worldwide and are associated with high morbidity and a heavy economic burden. In the U.S. alone noroviruses account for ~21 million cases, ... -
Nickel amine/imine and amine/amide bisthiolate complexes as models for the active site of nickel superoxide dismutase
(Wichita State University, 2017-07)Nickel Superoxide Dismutase (NiSOD) catalyzes disproportionation of cytotoxic superoxide radical to H2O2 and molecular O2. The mononuclear nickel center in the active site undergoes alternate oxidation and reduction ... -
Structure-guided design, synthesis, x-ray crystallography, and biochemical and in vivo evaluation of novel series of viral 3cl protease inhibitors of norovirus (NV) and Middle East Respiratory Distress Syndrome coronavirus (MERS-CoV)
(Wichita State University, 2017-07)Norovirus infection constitutes the primary cause of acute viral gastroenteritis. There are currently no vaccines or norovirus-specific antiviral therapeutics available for the management of norovirus infection. Norovirus ... -
Investigating the role of actin-binding protein palladin in actin regulation
(Wichita State University, 2017-07)Palladin, an actin-binding and bundling protein, plays an important role in normal cell adhesion and motility via organizing the actin cytoskeleton. Palladin exists in multiple isoforms in humans and its canonical isoform ... -
Differential ion mobility separations in the Low-Pressure Regime
(American Chemical Society, 2018-01-02)Ion mobility spectrometry (IMS) in conjunction with mass spectrometry (MS) has emerged as a powerful platform for biological and environmental analyses. An inherent advantage of differential or field asymmetric waveform ... -
Molecular structure characterization by isotopic splitting in nonlinear ion mobility spectra
(American Chemical Society, 2018-01-02)Nearly all compounds comprise numerous isotopologues ensuing from stable natural isotopes for constituent elements. The consequent isotopic envelopes in mass spectra can reveal the ion stoichiometry but not geometry. We ... -
Using ion mobility spectrometry to resolve isotopomers, identify isomers by isotopologic shifts, and predict mobility changes for post-translationally modified peptides
(Wichita State University, 2017-05)Differential or field asymmetric waveform ion mobility spectrometry (FAIMS) operating at high electric fields fully resolves isotopic isomers for a peptide with labeled residues. The naturally present isotopes, alone and ... -
Repurposing an inhibitor of ribosomal biogenesis with broad anti-fungal activity
(Nature Publishing Group, 2017-12-05)The lack of new antifungal compounds with unique mechanisms of action is a concern for therapeutic management of patients. To identify inhibitors against human pathogenic fungi, we screened similar to 3000 compounds provided ... -
Chapter 3 -- Current Status, Gaps, and Weaknesses of the Mechanism of Selective Dopaminergic Toxicity of MPTP/MPP+
(Elsevier, 2017)Among Parkinson's disease (PD) toxin models, MPTP/MPP+ has been the most popular, extensively characterized, and widely used to identify the cellular mechanisms associated with the selective degeneration of dopaminergic ... -
Rapid determination of free prolyl dipeptides and 4-hydroxyproline in urine using flow-gated capillary electrophoresis
(Springer, 2017-12)Unhydrolyzed prolyl hydroxyproline (Pro-Hyp) and total 4-hydroxyproline (Hyp) in urine have been suggested as disease biomarkers for bone turnover and osteoporosis. Here, a rapid method was developed to accurately and ... -
Fast and effective ion mobility-mass spectrometry separation of D-amino-acid-containing peptides
(American Chemical Society, 2017-11-01)Despite often minute concentrations in vivo, d-amino acid containing peptides (DAACPs) are crucial to many life processes. Standard proteomics protocols fail to detect them as d/l substitutions do not affect the peptide ... -
Evaluating electronic structure methods for accurate calculation of F-19 chemical shifts in fluorinated amino acids
(Wiley, 2017-11-15)The ability of electronic structure methods (11 density functionals, HF, and MP2 calculations; two basis sets and two solvation models) to accurately calculate the F-19 chemical shifts of 31 structures of fluorinated amino ... -
Rapid amino acid analysis of beers using flow-gated capillary electrophoresis coupled with side-by-side calibration
(Royal Society of Chemistry, 2017-08-21)Amino acid analysis is an important procedure to measure free amino acids (AAs) in various samples including proteins, blood plasma, urine, foods and beverages. Due to the complexity of these samples, chemical separations ... -
Palladin Can Compensate for Arp2/3 Complex Defects and Structurally Organizes Actin-Rich Structures Generated during Listeria monocytogenes Infections
(Federation of American Societies for Experimental Biology, 2017-04)The actin cytoskeleton is co-opted by the invasive and motile bacteria Listeria monocytogenes (Listeria) for their entry, intracellular motility and dissemination from one cell to another. Once inside host cells, these ... -
Rheostat or Toggle: Examining the role of non-conserved mutations to LURE students into research
(Federation of American Societies for Experimental Biology, 2017-04)There is a growing movement to involve undergraduate students in authentic research experiences. A variety of studies have indicated the strength of this approach in developing scientific aptitude, confidence, critical ... -
Conformational Changes in Palladin Actin-Binding Domains Measured by Fluorescent Resonance Energy Transfer
(Federation of American Societies for Experimental Biology, 2017-04)The fundamental goal of our research is to understand how cell motility in both normal and metastatic cells is regulated by palladin, an actin binding protein that plays a key role in remodeling the actin cytoskeleton. Our ... -
Structure, Dynamics and Folding of an Immunoglobulin-like Domain of Actin Binding Protein Palladin
(Federation of American Societies for Experimental Biology, 2017-04)While members of the immunoglobulin (Ig) share a very conserved folding pattern, this family is also the most diverse in terms of function and sequence. The conserved ®–sandwich fold of Ig domains provides a stable scaffold ...
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