SOAR Home
→
Liberal Arts and Sciences
→
Chemistry
→
CHEM Faculty Scholarship
→
CHEM Faculty Publications
→
Browsing CHEM Faculty Publications by Title

Browsing CHEM Faculty Publications by Title

Now showing items 120-139 of 253

Inhibition of norovirus 3CL protease by bisulfite adducts of transition state inhibitors

Mandadapu, Sivakoteswara Rao; Gunnam, Mallikarjuna Reddy; Tiew, Kok-Chuan; Uy, Roxanne Adeline Z.; Prior, Allan M.; Alliston, Kevin R.; Hua, Duy H.; Kim, Yunjeong; Chang, Kyeong-Ok; Groutas, William C. (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

Dou, Dengfeng; He, Guijia; Mandadapu, Sivakoteswara Rao; Aravapalli, Sridhar; Kim, Yunjeong; Chang, Kyeong-Ok; Groutas, William C. (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

Yang, Qingliang; Li, Yi; Dou, Dengfeng; Gan, Xiangdong; Mohan, Swathi; Groutas, Christopher S.; Stevenson, Laura E.; Lai, Zhong; Alliston, Kevin R.; Zhong, Jiaying; Williams, Todd D.; Groutas, William C. (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

Groutas, William C.; He, Shu; Kuang, Rongze; Ruan, Sumei; Tu, Juan; Chan, Ho-Kit (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. ...
Inhibitors of Dengue Virus and West Nile Virus proteases based on the aminobenzamide scaffold

Aravapalli, Sridhar; Lai, Huiguo; Teramoto, Tadahisa; Alliston, Kevin R.; Lushington, Gerald H.; Ferguson, Eron L.; Padmanabhan, R.; Groutas, William C. (Elsevier, 2012-05-10)

Dengue and West Nile viruses (WNV) are mosquito-borne members of flaviviruses that cause significant morbidity and mortality. There is no approved vaccine or antiviral drugs for human use to date. In this study, a series ...
Inhibitors of human leukocyte proteinase-3

Groutas, William C.; Hoidal, John R.; Brubaker, Michael J.; Stanga, Michael A.; Venkataraman, Radhika; Gray, B. H.; Rao, Narayanam V. (American Chemical Society, 1990-04-01)
Inhibitors of human neutrophil cathepsin G: structural and biochemical studies

Groutas, William C.; Brubaker, Michael J.; Venkataraman, Radhika; Epp, Jeffrey B.; Stanga, Michael A.; McClenahan, Jerald J. (Elsevier, 1992-04-01)

The interaction of a series of sulfonate and phosphate esters derived from N-hydroxysuccinimide with human leukocyte cathepsin G was investigated. The synthesized compounds were found to be time-dependent inhibitors of the ...
Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold

He, Guijia; Dou, Dengfeng; Wei, Liuqing; Alliston, Kevin R.; Groutas, William C. (Elsevier, 2010-09-01)

A series of compounds based on the N-amino-4-imidazolidinone scaffold was synthesized and screened against human neutrophil elastase (HNE). These studies lead to the identification of a selective, low micromolar reversible ...
Initial structural studies of charged receptors that bind to inorganic phosphate anion and to an anionic phospholipid found in bacterial membranes

Koralegedara, Manjula B.; Aw, Hong W.; Burns, Dennis H. (American Chemical Society, 2011-03-18)

ITC titration studies of a family of bis-ammonium receptors based upon a scaffold of two bis-linked phenol rings show that several of the receptors bind to both dihydrogenphosphate and phosphatidylglycerol anions in a ...
Intrinsic hydration of monopositive uranyl hydroxide, nitrate, and acetate cations

Chien, Winnie; Anbalagan, Victor; Zandler, Melvin E.; Van Stipdonk, Michael J.; Hanna, Dorothy A.; Gresham, Garold L.; Groenewold, Gary S. (Springer, 2004-06-01)

The intrinsic hydration of three monopositive uranyl-anion complexes (UO(2)A)(+) (where A = acetate, nitrate, or hydroxide) was investigated using ion-trap mass spectrometry (IT-MS). The relative rates for the formation ...
Investigation of intramolecular proton migration in a series of model, metal-cationized tripeptides using in situ generation of an isotope label

Bulleigh, Kellis; Howard, Angela; Do, Trang; Wu, Qun; Anbalagan, Victor; Van Stipdonk, Michael J. (John Wiley and Sons, 2006-01-01)

In this study we used an isotope label, generated in situ, to investigate intramolecular proton migration or scrambling during formation of [b(2)+17+Li](+) products by collision-induced dissociation (CID) of Li(+)-cationized ...
Investigation of the neutral loss of a full amino acid mass during collision-induced dissociation of the b(3)+ ion derived from a model peptide containing a 4-aminobutyric acid residue

Talaty, Erach R.; Chueachavalit, Chawalee; Osburn, Sandra M.; Van Stipdonk, Michael J. (John Wiley and Sons, 2007-01-01)

In a previous study we found that a dominant fragmentation pathway observed for collision-induced dissociation (CID) of b(3)+ derived from peptides with sequence AXAG, where X is gamma-aminobutyric acid (gammaAbu) or ...
Investigations of acidity and nucleophilicity of diphenyldithiophosphinate ligands using theory and gas-phase dissociation reactions

Leavitt, Christopher M.; Gresham, Garold L.; Benson, Michael T.; Gaumet, Jean-Jacques; Peterman, Dean R.; Klaehn, John R.; Moser, Megan; Aubriet, Frederic; Van Stipdonk, Michael J.; Groenewold, Gary S. (American Chemical Society, 2008-04-21)

Diphenyldithiophosphinate (DTP) ligands modified with electron-withdrawing trifluoromethyl (TFM) substitutents are of high interest because they have demonstrated potential for exceptional separation of Am (3+) from ...
Ionic inhibitors of human leukocyte elastase: pyridinium and phenyl carboxylate derivatives of 3-alkyl-N-hydroxysuccinimide

Groutas, William C.; Stanga, Michael A.; Castrisos, J. C.; Schatz, E. J.; Brubaker, Michael J. (John Wiley and Sons, 1990-10-01)

A series of pyridinium and phenyl carboxylate derivatives of 3-alkyl-N-hydroxysuccinimide has been synthesized; the compounds have been shown to be highly effective, time-dependent inactivators of human leukocyte elastase. ...
IRMPD and DFT study of the loss of water from protonated 2-hydroxynicotinic acid

Van Stipdonk, Michael J.; Kullman, Michael J.; Berden, Giel; Oomens, Jos (Elsevier, 2012-07-06)

Collision-induced dissociation (CID) of protonated 2-hydroxynicotinic acid (2-OHNic) generates a dominant product ion through loss of 18 mass units, presumably the elimination of water. Subsequent isolation and storage of ...
IRMPD spectroscopy b2 ions from protonated tripeptides with 4-aminomethyl benzoic acid residues

Kullman, Michael J.; Molesworth, Samuel P.; Berden, Giel; Oomens, Jos; Van Stipdonk, Michael J. (Elsevier, 2012-02)

Collision-induced dissociation (CID) of the peptide alanine-4-aminomethylbenzoic acid-glycine, A(AMBz)G generates a prominent b2 ion despite a previous report [E.R. Talaty, T.J. Cooper, S.M. Osburn, M.J. Van Stipdonk, ...
IRMPD spectroscopy of anionic group II metal nitrate cluster ions

Leavitt, Christopher M.; Oomens, Jos; Dain, Ryan P.; Steill, Jeffrey D.; Groenewold, Gary S.; Van Stipdonk, Michael J. (Springer, 2009-05-01)

Anionic group II metal nitrate clusters of the formula [M(2)(NO(3))(5)](-), where M(2) = Mg(2), MgCa, Ca(2), and Sr(2), are investigated by infrared multiple photon dissociation (IRMPD) spectroscopy to obtain vibrational ...
Iron and cobalt complexes of 2,6-Diacetylpyridine-bis(R-thiosemicarbazone) (R=H, phenyl) showing unprecedented ligand deviation from planarity

Panja, Anangamohan; Campana, Charles; Leavitt, Christopher M.; Van Stipdonk, Michael J.; Eichhorn, David M. (Elsevier, 2009-03-02)

The syntheses, characterization, and single-crystal X-ray crystal structures are reported for four complexes of iron and cobalt with the pentadentate ligands, 2,6-diacetylpyridinebis(thiosemicarbazone) (H(2)L(1)) and ...
Isotope labeling and theoretical study of the formation of a3* ions from protonated tetraglycine

Cooper, Travis J.; Talaty, Erach R.; Grove, Jerod; Van Stipdonk, Michael J.; Suhai, Sándor; Paizs, Béla (Springer, 2006-12-01)

Extensive 13C, 15N, and 2H labeling of tetraglycine was used to investigate the b3+ --> a3* reaction during low-energy collision-induced dissociation (CID) in a quadrupole ion-trap mass spectrometer. The patterns observed ...
Isoxazoline derivatives as potential inhibitors of the proteolytic enzymes human leukocyte elastase, cathepsin G and proteinase 3: a structure-activity relationship study

Groutas, William C.; Venkataraman, Radhika; Chong, Lee S.; Yoder, James E.; Epp, Jeffrey B.; Stanga, Michael A.; Kim, Eun-Hong (Elsevier, 1995-02-01)