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 Найдено научных статей и публикаций: 4, для научной тематики: virtual screening


Связанные научные тематики:
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1.

Synthesis of New Congeners of 1-methyl-3-aminoisoquinolines, Evaluation of Their Cytotoxic Activity, In Silico and In Vitro Study of Their Molecular Targets as PDE4B. (публикация автора на scipeople)     

Lapa GB, Tsunoda T, Shirasawa S, et al - Chem Biol Drug Des. , 2016
To examine the cytotoxic activity of congeners of 3-amino-isoquinoline, we performed the phenotypic screening using panel of 60 cell lines and found that...
2.

Virtual screening for potential substances for the prophylaxis of HIV infection in libraries of commercially available organic compounds (публикация автора на scipeople)   

Lagunin A.A., Filimonov D.A., Gloriozova T.A., Tarasova O.A., Zakharov A.V., Guasch L., Nicklaus M.C., Poroikov V.V. - Pharmaceutical Chemistry Journal , 2013
The search for new substances for the treatment and prophylaxis of HIV-AIDS remains relevant despite advances in highly active antiretroviral therapy (HAART), both because of the appearance of resistance to existing agents and because of their...
3.

Building a chemical space based on fragment descriptors (публикация автора на scipeople)   

I. Baskin, A. Varnek - Combinatorial Chemistry and High Throughput Screening , 2008
This article reviews the application of fragment descriptors at different stages of virtual screening: filtering, similarity search, and direct activity assessment using QSAR/QSPR models. Several case studies are considered. It is demonstrated...
4.

Rational design of macrolides by virtual screening of combinatorial libraries generated through in silico manipulation of polyketide synthases (публикация автора на scipeople)   

Zotchev S.B., Stepanchikova A.V., Sergeyko A.P., Sobolev B.N., Filimonov D.A., Poroikov V.V. - Journal of Medicinal Chemistry , 2006
Bacterial secondary metabolites display diverse biological activities, thus having potential as pharmacological agents. Although most of these compounds are discovered by random screening, it is possible to predict and re-design their structures...