Registration Number
0217U001537,
0116U006100
, R & D reports
Title
Using the Virtual GRID and organization CSLabGrid for high pass tubulin inhibitor screening parasitic fungi
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Head
Blume Ya.B.,
Registration Date
27-02-2017
Organization
Institute of Food Biotechnology and Cenomics of the National Academy of Sciences of Ukraine
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As a result of high bandwidth virtual screening of more than 7 million substances using UCSF Dock Pack 6 (IFBG Cluster) 200 promising substances were selected. Based on the analysis of evaluation functions in docking CCDC Gold, as well as visual assessment built complexes, selected 30 of the most promising compounds - potential inhibitors of tubulin parasitic fungi. As the most promising for further laboratory studies in vitro, identified 19 compounds synthesized at the Institute of Organic Chemistry National Academy of Sciences of Ukraine.
Product Description
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Демчук О.М.
Карпов П.А.
Ожерєдов С.П.
Раєвський О.В.
Самофалова Д.О.
Співак С.І.
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2020-04-02
