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 Найдено научных статей и публикаций: 5, для научной тематики: GUSAR


Связанные научные тематики:
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1.

Computer evaluation of drug interactions with P-glycoprotein (публикация автора на scipeople)   

Lagunin A.A., Gloriozova T.A., Dmitriev A.V., Volgina N.E., Poroikov V.V. - Bulletin of Experimental Biology and Medicine , 2013
The (Q)SAR models for evaluating the structure–property relationships, fi t for prediction of drug interactions with P-glycoprotein as inhibitors or substrates, were constructed using PASS and GUSAR software. The models were constructed and...
2.

Quantitative prediction of antitarget interaction profiles for chemical compounds (публикация автора на scipeople)   

Zakharov A.V., Lagunin A.A., Filimonov D.A., Poroikov V.V. - Chemical Research in Toxicology , 2012
The evaluation of possible interactions between chemical compounds and antitarget proteins is an important task of the research and development process. Here, we describe the development and validation of QSAR models for the prediction of...
3.

Компьютерная оценка взаимодействия фармакологических веществ с p-гликопротеином (публикация автора на scipeople)   

Лагунин А.А., Глориозова Т.А., Дмитриев А.В., Волгина Н.Е., Поройков В.В. - Бюллетень экспериментальной биологии и медицины , 2012
Р-гликопротеин (Pgp) является одним из основных АВС-транспортеров гематоэнцефалического барьера, осуществляющих выведение из мозга в...
4.

Synthesis, antifungal activity and QSAR study of 2-arylhydroxynitroindoles (публикация автора на scipeople)   

Kokurkina G.V., Dutov M.D., Shevelev S.A., Popkov S.V., Zakharov A.V., Poroikov V.V. - European Journal of Medicinal Chemistry , 2011
A series of 2-arylhydroxynitroindoles were prepared and tested for antifungal activity in vitro. The preliminary bioassays indicated that some compounds are comparable to the commercial fungicide (triadimefon). To further explore the...
5.

QNA based “Star Track” QSAR approach (публикация автора на scipeople)   

Filimonov D.A., Zakharov A.V., Lagunin A.A., Poroikov V.V. - SAR and QSAR in Environmental Research , 2009
In the existing QSAR methods any molecule is represented as a single point in many-dimensional space of molecular descriptors. We proposed a new QSAR approach based on Quantitative Neighbourhoods of Atoms (QNA) descriptors, which characterize each...