Functionalized pyrrolidine inhibitors of human alpha- mannosidases II in cancer: optimizing the fit to the active site
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Three new complexes, [(CoL2)-L-II(bzln)(2)] (1), [(NiL2)-L-II(DMF)(2)] (2), and [(ZnL2)-L-II] (3), with the bidentate (NO) Schiff base HL=2-((E)-(benzylimino)methyl)-4-nitrophenol have been synthesized and characterized. [(CoL2)-L-II(bzln)(2)] (1) was init ...
We describe the computational design of proteins that bind the potent analgesic fentanyl. Our approach employs a fast docking algorithm to find shape complementary ligand placement in protein scaffolds, followed by design of the surrounding residues to opt ...
After twenty years of partly quiet and ten years of partly enthusiastic research into lead-free piezoceramics there are now clear prospects for transfer into applications in some areas. This mimics prior research into eliminating lead from other technologi ...
Laue's experiment in 1912 of the diffraction of X-rays by crystals led to one of the most influential discoveries in the history of science: the first determinations of crystal structures, NaCl and diamond in particular, by W. L. Bragg in 1913. For the fir ...
There are currently no disease-modifying therapies for the neurodegenerative disorder Huntington's disease (HD). This study identified novel thiazole-containing inhibitors of the deacetylase sirtuin-2 (SIRT2) with neuroprotective activity in ex vivo brain ...
Hv1 is a transmembrane four-helix bundle that transports protons in a voltage-controlled manner. Its crucial role in many pathological conditions, including cancer and ischemic brain damage, makes Hv1 a promising drug target. Starting from the recently sol ...
Notch signaling is a highly conserved developmental pathway that plays important roles in the regulation of cellular processes including cell fate decisions and stem cell maintenance. A tight regulation of the Notch cascade ensures proper tissue homeostasi ...
Conventional chemotherapy leads to severe side-effects such as nephrotoxicity, nausea and vomiting and fatigue along with drug resistance. Alkylating agents used to treat cancer were even shown to provoke second cancers, often years after the end of chemot ...
In Mycobacterium tuberculosis the decaprenyl-phospho-d-arabinofuranose (DPA) pathway is a validated target for the drugs ethambutol and benzothiazinones. To identify other potential drug targets in the pathway, we generated conditional knock-down mutants o ...
The cell envelope of Mycobacterium tuberculosis contains glycans and lipids of peculiar structure that play prominent roles in the biology and pathogenesis of tuberculosis. Consequently, the chemical structure and biosynthesis of the cell wall have been in ...
