Registration Number
0219U102013,
0119U103067
, R & D reports
Title
New low-molecular bioregulators as effective agents against multidrug resistant Acinetobacter baumannii clinical isolate: in silico and in vitro studies
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Head
Metelytsia Larysa O.,
Registration Date
13-12-2019
Organization
V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine
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More than 200 scientific articles were chosen to analyze and create a data set of compounds as inhibitors of sensitive and resistant strains of the bacterium A. baumannii using the search Internet resources ChEMBL and PubChem, The procedure for preparation and introduction of the obtained data was carried out according to the standard procedure. The new module "AcinBaum MIC" was created in the QCHEM database using a browser window. Initial information on the activity of the compounds was introduced into nmol or mg/ml and then converted to logarithmic values. Detailed analysis of references allowed to form a data base of 3000 chemical compounds with different antibacterial potential against A. baumannii. The generated data are available on the OCHEM website and are the basis for further development of QSAR models.
Product Description
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Hodyna Diana M.
Kovalishyn Vasiliy V.
Rogalsky Sergiy P.
Semenyuta Ivan V.
Trush Mariya М.
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2020-04-02
