Registration Number
0221U100294,
0120U100110
, R & D reports
Title
Studies of novel low molecular weight compounds as potential broad spectrum bioregulators.
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Head
Metelytsia Larysa O., к.б.н.
Registration Date
04-01-2021
Organization
V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine
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The objects of study are imidazolium, pyridinium, guanidinium, phosphonium based onium salts and and azole derivatives as bioregulators of a wide range of antimicrobial activity. The subjects of study are antimicrobial activity, QSAR modeling and docking. The purpose of the work is in vitro study a series of onium salts and azole derivatives as new potential antimicrobials using QSAR and molecular docking methods. The antimicrobial potential of long-terminal onium salts is provided by the alkyl radical length functionalized by polar ester and/or hydroxyl groups. The antimicrobial properties of triphenylphosphonium salts are determined by the nature of the heteroatom in the azole ring, substituents at positions 2 and 5 of the heterocycle and the type of anion. Candida albicans N-myristoyltransferase and Staphylococcus aureus glycosyltransferase are proposed as potential molecular targets action of long-chain and phosphonium onium salts respectively. The created homologous 3D model of fructose-1,6-bis-phosphataldolase C. albicans is proposed as a tool for searching and designing of new 4-phosphorylated 1,3-oxazole derivatives with a specific molecular mechanism of action. Results obtained demonstrate the actuality and the promise of further research into novel azole derivatives-based regulators as effective antimicrobials.
Product Description
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Hodyna Diana M.
Derev'yanko Kateryna Yu.
Kalashnikova Larisa Ye.
Kovalishyn Vasiliy V.
Semenyuta Ivan V.
Trush Mariya М.
Shut Oleksandr О.
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2021-01-04
