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Nature Precedings
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  • Structure based de novo design of IspD inhibitors as anti-tubercular agents

    Rohith Anand Varikoti; Rahul P. Gangwal; Gaurao V. Dhoke; Venkata Krishnan Ramaswamy; Abhay T. Sangamwar (2012)
    Tuberculosis is one of the leading contagious diseases, caused by Mycobacterium tuberculosis. Despite improvements in anti-tubercular agents, it remains one of the most prevalent infectious diseases worldwide, responsible for a total of 1.6 million deaths annually. The emergence of multidrug resistant strains highlighted the need of discovering novel drug targets for the development of anti-tubercular agents. 2-C-methyl-D-erythritol-4-phosphate cytidyltransferase (IspD) is an enzyme involved ...

    Geological Controls on Water Resource Variability in Minnesota, USA

    Howard Mooers; Roman Kanivetsky; John Nieber; Heidi Peterson; Carol Johnston; Boris Shmagin (2009)
    Sustainable management of water resources requires quantitative description of spatio-temporal variability, and the map is a universal medium to reflect the spatio-temporal distribution of water resources. The long history of cartography and the recent digital revolution have culminated in the Google Earth web portal with unprecedented frequency of daily use. System analysis with combination of a cyber model of landscapes, multidimensional methods of data analysis, and GIS cartography of wate...

    Theoretical studies in the molecular Platonic solids: Pure and mixed carbon, nitrogen, phosphorus, and silicon tetrahedranes

    Sierra Rayne; Kaya Forest (2011)
    Calculations were conducted at the G4MP2 and G4 composite method levels of theory on the 35 potential carbon, nitrogen, silicon, and phosphorus tetrahedrane derivatives with the general form C~a~N~b~Si~c~P~d~H~(4-b-d)~ (where a+b+c+d=4). At both levels of theory, optimized electronic ground state neutral singlet gas phase (298.15 K, 1 atm) geometries were obtained for 24 of the 35 possible C/N/Si/P tetrahedrane derivatives. Corresponding enthalpies of formation were calculated using the atomi...

    Identification of the prebiotic translation apparatus within the contemporary ribosome

    Ilana Agmon; Chen Davidovich; Anat Bashan; Ada Yonath (2009)
    A structural element that could have existed independently in the prebiotic era was identified at the active site of the contemporary ribosome. It is suggested to have functioned as a proto-ribosome catalyzing peptide bond formation and non-coded elongation in the same manner that contemporary ribosomes exert positional catalysis, namely by accommodating the reactants in stereochemistry favourable for inline nucleophilic attack. This simple apparatus is a dimer of self-folding RNA units that ...

    Chronic cocaine enhances release of neuroprotective amino acid taurine: a microdialysis study

    Elena Yablonski-Alter; Mervan Agovic; Eleonora Gashi; Theodore Lidsky; Eitan Freedman; Shailesh Banerjee (2008)
    Cocaine inhibits high-affinity neurotransmitter uptake at the presynaptic nerve terminals to increase synaptic levels of dopamine, norepinephrine and serotonin^1^. This increase of synaptic dopamine may cause neurotoxicity^2,3^. At least two different mechanisms have been proposed for the development of dopamine-related neurotoxicity: 1) dopamine produces a free radical that may induce cell toxicity^2,3^ and 2) dopamine reduces glutamate transport at its presynaptic sites to increase synaptic...
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