Registration Number
0214U007227,
0111U006518
, R & D reports
Title
Theoretical and experimental study on the use of new computer technologies in the development of effective agents against pathogens topical infections
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Head
Lozitsky Viktor Petrovich,
Registration Date
21-05-2014
Organization
Ukrainian Mechnikov Research antiplague institute
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New guidelines have been developed for the creation of expert systems for computer virtual screening , designing and predicting the activity level of antiviral compounds, in particular influenza . These studies can significantly increase the database of different classes of organic compounds with specific activity prior to generate training and testing samples for the purpose of solving QSAR. This is a significant contribution to the development of an expert system for screening vneeksperimentalnogo influenza compounds. The optimization schemes of combined use of drugs with different mechanisms of action at their joint use for the prevention and treatment bacterial infections with using QSAR-technology. As a result of R & D:- Obtained QSAR-model with boundaries application capable to predict influenza activity of the compounds.- Determined by structural factors that affect the manifestation of influenza activity of the compounds.- Original and antiviral activity of known compounds was studied on the model of anti-influenza action of drugs in vitro, thus expanding the base QSAR. Using this database allows to solve complex problems of creation of antiviral agents with lower cost and higher efficiency. - Studied the antiviral activity of drugs with different mechanisms of action and QSAR established sampling schemes to optimize the combined use of drugs with different mechanisms of action. - Optimized scheme combined use of drugs for the prevention and treatment of influenza complications using QSAR-technologies. -Algorithm for calculating the synergistic action of mixtures developed. It can then be used to determine the most effective dose of any drug. - Developed new principles of expert computer systems for virtual screening assay design and prediction of activity of antiviral drugs.Importance of these results is that a scientific approach can significantly contribute to the expansion arsenal effective influenza drugs, and optimize their use of scheme for the intended purpose
Product Description
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Григорашева Ірина Миколаївна
Гридіна Тетяна Леонідівна
Кулібаба Олена Володимирівна
Лозицький Віктор Петрович
Мудрик Любов Михайлівна
Федчук Алла Семенівна
Шитікова Лариса Іванівна
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2020-04-02
