Zobrazeno 1 - 10
of 15
pro vyhledávání: '"S. L. Solodova"'
Publikováno v:
Pharmaceutical Chemistry Journal. 52:975-979
Regression models of the cellular substrate specificity of 177 drugs for P-glycoprotein were built using linear regression, random forest, and support vector methods. QSAR modeling used a full-trial search of all possible combinations of the seven mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aefc71ab328f202e120b5dc206db0bfc
https://doi.org/10.1007/s11094-019-01936-x
https://doi.org/10.1007/s11094-019-01936-x
Autor:
A.V. Yarkov, D.E. Polianczyk, Oleg A. Raevsky, Sergey O. Bachurin, V. Y. Grigorev, S. L. Solodova, John C. Dearden, German I. Sandakov
Publikováno v:
Journal of Drug Targeting. 24:655-662
A comparative study of classification models of brain penetration by different approaches was carried out on a training set of 1000 chemicals and drugs, and an external test set of 100 drugs. Ten approaches were applied in this work: seven medicinal
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::84bf48e7917b8884a762269d91dc83e9
https://doi.org/10.3109/1061186x.2015.1132224
https://doi.org/10.3109/1061186x.2015.1132224
Publikováno v:
Biomeditsinskaya Khimiya. 62:173-179
Thirty three classification models of substrate specificity of 177 drugs to P-glycoprotein have been created using of the linear discriminant analysis, random forest and support vector machine methods. QSAR modeling was carried out using 2 strategies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab3fba6db5b1ceae2520772a02bf218e
https://doi.org/10.18097/pbmc20166202173
https://doi.org/10.18097/pbmc20166202173
Publikováno v:
Biochemistry (Moscow) Supplement Series B: Biomedical Chemistry. 7:95-107
The review considers the current level of computer modelling of the relationship between structure of organic compounds and drugs and their ability to penetrate the blood brain barrier (BBB). All descriptors that influence BBB permeability within cla
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db005cf4446188748b3b2dfdb08a8e0a
https://doi.org/10.1134/s199075081302008x
https://doi.org/10.1134/s199075081302008x
Publikováno v:
Pharmaceutical Chemistry Journal. 46:133-138
Results of QSAR modeling of the interaction between the structures of organic compounds and their ability to penetrate the blood-brain barrier are presented. Published data for experimental values of logBB for humans (35 compounds) and rats (42 compo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b2df4ec5a2e9be0de0e693faebbf9412
https://doi.org/10.1007/s11094-012-0748-6
https://doi.org/10.1007/s11094-012-0748-6
Publikováno v:
Biochemistry (Moscow) Supplement Series B: Biomedical Chemistry. 6:31-38
Ability of drugs to cross blood-brain barrier (BBB) (BBB+ for BBB-penetrating and BBB- for non-penetrating compounds) is one of the most important properties of chemicals acting on the central nervous system (CNS). This work presents the results of m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d0f4186ac9b92a80583d7d01f1e24d16
https://doi.org/10.1134/s1990750812010131
https://doi.org/10.1134/s1990750812010131
Publikováno v:
Biomeditsinskaya Khimiya. 58:246-256
Ability of drugs to cross blood-brain barrier (BBB) (BBB+ for BBB-penetrating and BBB- for non-penetrating compounds) is one of the most important properties of chemicals acting on the central nervous system (CNS). This work presents the results of m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::87c0e3758429ec90ca75caa949c9061b
https://doi.org/10.18097/pbmc20125803246
https://doi.org/10.18097/pbmc20125803246
Autor:
Sergei V. Trepalin, Oleg A. Raevsky, O. E. Raevskaya, V. Yu. Grigor’ev, A.V. Yarkov, S. L. Solodova
Publikováno v:
Pharmaceutical Chemistry Journal. 48:26-28
Alocally written computer program was used to study the structure–activity relationship by analyzing a set of compounds with known blood–brain-barrier penetration values.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1bc248d430307920ac75977b7a16729e
https://doi.org/10.1007/s11094-014-1039-1
https://doi.org/10.1007/s11094-014-1039-1
Publikováno v:
Russian Chemical Reviews. 79:981-1003
The review summarizes physicochemical characteristics of the natural sesquiterpene peroxide artemisinin. The kinetic schemes of transformations of artemisinin radicals under anaerobic conditions are presented and analyzed. The sequence of radical rea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e7ea43b28489e18b4c16118e74230769
https://doi.org/10.1070/rc2010v079n11abeh004143
https://doi.org/10.1070/rc2010v079n11abeh004143
Autor:
Evgenii T Denisov, S. L. Solodova
Publikováno v:
Russian Chemical Bulletin. 58:777-785
The enthalpies of intramolecular reactions of alkoxy and peroxy radicals formed from polyatomic artemisinin hydroperoxides and of their bimolecular reactions with C—H, S—H, and O—H bonds of biological substrates were calculated. The activation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9a0ac8c8a004bdc2d53d2115ab554846
https://doi.org/10.1007/s11172-009-0094-3
https://doi.org/10.1007/s11172-009-0094-3