http://precedings.nature.com/users/dd13c72395fdc9fe1cff73f8739a8777/ Documents posted by Khalid Mirza Nature Publishing Group en Nature Precedings http://precedings.nature.com/images/header_logo.gif http://precedings.nature.com http://precedings.nature.com/documents/2237/version/1 The Ugi reaction has proved to be a convenient way to quickly create diverse libraries of compounds. It involves the reaction of an amine, an aldehyde, a carboxylic acid and an isonitrile typically in methanol at room temperature. The Ugi reaction has often been used as a tool in the synthesis of pharmacologically active molecules. It has been observed that Ugi products sometimes precipitate in pure form from the reaction mixture. This is a very fortunate outcome since the reaction can then be easily scaled up without requiring costly purification procedures such as chromatography. It would be most beneficial to optimize the Ugi product yield as obtained directly from filtering the reaction mixture without further treatment. To this end we utilized a 48-slot Mettler-Toledo MiniBlock equipped with filtration tubes. A Mettler-Toledo MiniMapper automated liquid handler was used to deliver the reagents and solvent. The parameters of interest were the concentration, the solvent composition and the excess of some of the reagents. This work was performed under Open Notebook Science conditions and links to relevant laboratory notebook pages are provided. http://precedings.nature.com/documents/2237/version/1 Fri, 29 Aug 2008 17:50:59 UTC Optimization of the Ugi reaction using parallel synthesis and automated liquid handling hdl:10101/npre.2008.2237.1 2008-08-29 Jean-Claude Bradley Nature Precedings 2008-08-29T17:50:59Z Manuscript Chemistry Pharmacology http://creativecommons.org/licenses/by/3.0/ http://dx.doi.org/10.1038/npre.2008.2216.1 This talk was presented by Jean-Claude Bradley at the American Chemical Society meeting in Philadelphia on August 20, 2008. An introduction to Open Notebook Science is presented followed by an illustration of how ONS can be used in drug discovery. New data relating to the anti-malarial activity of Ugi products on 2 falcipain-2 docking sites is detailed. The docking calculations were provided by Rajarshi Guha and the enzyme and in vitro assays on Plasmodium falciparum were provided by Phil Rosenthal and Jiri Gut. Most of the syntheses were carried out by Khalid Mirza in the Bradley group.Screencast available at: http://video.google.com/videoplay?docid=3251406956070376532&hl=en http://dx.doi.org/10.1038/npre.2008.2216.1 Tue, 26 Aug 2008 17:09:10 UTC Open Notebook Science – Falcipain-2 Preliminary Results doi:10.1038/npre.2008.2216.1 2008-08-26 Jean-Claude Bradley Nature Precedings 2008-08-26T17:09:10Z Presentation Chemistry Bioinformatics http://creativecommons.org/licenses/by/3.0/