Browsing by Author "Eriksson, Leif A."
Now showing items 1-8 of 8
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1,2-bis(methylsulfonyl)-1-(2-chloroethyl)-2-[[1-(4-nitrophenyl)ethoxy]carbonyl]hydrazine (ks119): a cytotoxic prodrug with two stable conformations differing in biological and physical properties
Penketh, Philip G.; Baumann, Raymond P.; Shyam, Krishnamurthy; Williamson, Hugh S.; Ishiguro, Kimiko; Zhu, Rui; Eriksson, Emma S. E.; Eriksson, Leif A.; Sartorelli, Alan C. (Wiley-Blackwell, 2011-09-06)The anticancer prodrug 1,2-bis(methylsulfonyl)-1-( 2-chloroethyl)-2-[[1-(4-nitrophenyl)ethoxy]carbonyl]hydrazine (KS119) selectively releases a short-lived cytotoxin following enzymatic reduction in hypoxic environments ... -
7-nitro-4-(phenylthio)benzofurazan is a potent generator of superoxide and hydrogen peroxide
Patridge, Eric V.; Eriksson, Emma S. E.; Penketh, Philip G.; Baumann, Raymond P.; Zhu, Rui; Shyam, Krishnamurthy; Eriksson, Leif A.; Sartorelli, Alan C. (Springer Nature, 2012-06-06)Here, we report on 7-nitro-4-(phenylthio)benzofurazan (NBF-SPh), the most potent derivative among a set of patented anticancer 7-nitrobenzofurazans (NBFs), which have been suggested to function by perturbing protein-protein ... -
Analysis of biphenyl-type inhibitors targeting the eg5 α4/α6 allosteric pocket
Gao, Chunxia; Lowndes, Noel F.; Eriksson, Leif A. (American Chemical Society (ACS), 2017-05-05)Eg5 is a mitotic kinesin protein that plays an important role in the formation and maintenance of the bipolar spindle during the mitotic phase. Due to its potentially reduced side effects in cancer therapy, Eg5 is considered ... -
Computational Studies of Hypericin and Porphyrin Derivatives for Photodynamic Therapy - Spectra, Membrane Simulations, and Protein Interactions
Eriksson, Emma Sofia Elisabeth (2011-08)Photosensitizing compounds with potential application in anticancer treatment with photodynamic therapy were investigated by means of computational methods in the studies presented in this thesis. Hypericin and brominated ... -
Enzymes in the World of Computational Chemistry - Computational Studies on Structures, Dynamics, Mechanisms, and Specificity of Five Biologically Important Enzymes
Tian, Boxue (2012-10-30)The thesis demonstrates computational chemical methodology applied to some biologically important enzymes. Five enzymes have been studied, i.e. sortase A (SrtA), 2-Methyl-3-hydroxypyridine-5-carboxylic acid oxygenase ... -
Predicting enzyme–substrate specificity with qm/mm methods: a case study of the stereospecificity ofd-glucarate dehydratase
Tian, Boxue; Wallrapp, Frank; Kalyanaraman, Chakrapani; Zhao, Suwen; Eriksson, Leif A.; Jacobson, Matthew P. (American Chemical Society (ACS), 2013-08-20)The stereospecificity of D-glucarate dehydratase (GlucD) is explored by QM/MM calculations. Both the substrate binding and the chemical steps of GlucD contribute to substrate specificity. Although the identification of ... -
Rational design and validation of a tip60 histone acetyltransferase inhibitor
Gao, Chunxia; Bourke, Emer; Scobie, Martin; Famme, Melina Arcos; Koolmeister, Tobias; Helleday, Thomas; Eriksson, Leif A.; Lowndes, Noel F.; Brown, James A. L. (Springer Nature, 2014-06-20)Histone acetylation is required for many aspects of gene regulation, genome maintenance and metabolism and dysfunctional acetylation is implicated in numerous diseases, including cancer. Acetylation is regulated by histone ... -
The role of the pyridoxine (vitamin b6) biosynthesis enzyme pdx1 in ultraviolet-b radiation responses in plants
Ristilä, Mikael; Strid, Hilja; Eriksson, Leif A.; Strid, Åke; Sävenstrand, Helena (Elsevier BV, 2011-03-01)