Presentation on theme: "Development of a cyclodextrin database using Chemaxon tools Eszter Hazai Virtua Drug, Budapest, Hungary."— Presentation transcript:
Development of a cyclodextrin database using Chemaxon tools Eszter Hazai Virtua Drug, Budapest, Hungary
Why Cyclodextrins? Definition: Cyclodextrins (CDs) are cyclic oligosaccharides obtained by the enzymatic conversion of starch. α-cyclodextrin: six sugar ring molecule β-cyclodextrin: seven sugar ring molecule γ-cyclodextrin: eight sugar ring molecule Cyclodextrins and drugs (1995-2003): 1800 CD-drug paper 715 patent About 30 drugs, e.g. Cetirizine-BCD (Cetirizin) Diclofenac-BCD (Voltaren ophtha) Omeprazole-BCD (Omebeta)
Why Database? Database in general Integrate current knowledge on a specific research area Aimed at bringing together information from diverse source Provide easy and fast way for data mining Our aim at creating cyclodextrin database Relatively few experimental conditions in order to give a quick, rough overview on cyclodextrin binding– if you need every data, read the paper Data collected- should be used for prediction as well
www.cyclodb.com 3 modules: Literature – all general data Interaction – extracted structural data Prediction – in silico prediction methods
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