Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of Ligands
The relationships between drug affinity constant (Kag) for the particles of perfluorane nanoemulsion and physicochemical properties of ligands were studied by correlation and multiple regression analyses. The following parameters were applied: lipophilicity (LogP), molecular weight (MW), topological...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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Federal Research and Clinical Center of Intensive Care Medicine and Rehabilitology, Moscow, Russia
2011-06-01
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| Series: | Общая реаниматология |
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| Online Access: | https://www.reanimatology.com/rmt/article/view/295 |
| _version_ | 1797874261967241216 |
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| author | N. N. Pshenkina G. A. Sofronov |
| author_facet | N. N. Pshenkina G. A. Sofronov |
| author_sort | N. N. Pshenkina |
| collection | DOAJ |
| description | The relationships between drug affinity constant (Kag) for the particles of perfluorane nanoemulsion and physicochemical properties of ligands were studied by correlation and multiple regression analyses. The following parameters were applied: lipophilicity (LogP), molecular weight (MW), topological polar surface area (TPSA), the number of hydrogen donors (Don) and acceptors (Acc) in the formation of a hydrogen bonds, the number of rotating bonds (Rot), and drug molecule ionization constant (pKa). The Kaf — physicochemical properties relationships were found to be mainly nonlinear and to mostly show up in the lipophilicility parameter LogP of ligands. During the multiple regression analysis, a number of regression equations were derived, which described the relationship of the perfluorane affinity Kaf to the physicochemical properties of drugs and could predict this interaction for both existing and newly synthesized compounds. |
| first_indexed | 2024-04-10T01:29:13Z |
| format | Article |
| id | doaj.art-44e6a17f679641b1813d00f11eaf2a76 |
| institution | Directory Open Access Journal |
| issn | 1813-9779 2411-7110 |
| language | English |
| last_indexed | 2024-04-10T01:29:13Z |
| publishDate | 2011-06-01 |
| publisher | Federal Research and Clinical Center of Intensive Care Medicine and Rehabilitology, Moscow, Russia |
| record_format | Article |
| series | Общая реаниматология |
| spelling | doaj.art-44e6a17f679641b1813d00f11eaf2a762023-03-13T09:32:51ZengFederal Research and Clinical Center of Intensive Care Medicine and Rehabilitology, Moscow, RussiaОбщая реаниматология1813-97792411-71102011-06-017310.15360/1813-9779-2011-3-14295Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of LigandsN. N. PshenkinaG. A. SofronovThe relationships between drug affinity constant (Kag) for the particles of perfluorane nanoemulsion and physicochemical properties of ligands were studied by correlation and multiple regression analyses. The following parameters were applied: lipophilicity (LogP), molecular weight (MW), topological polar surface area (TPSA), the number of hydrogen donors (Don) and acceptors (Acc) in the formation of a hydrogen bonds, the number of rotating bonds (Rot), and drug molecule ionization constant (pKa). The Kaf — physicochemical properties relationships were found to be mainly nonlinear and to mostly show up in the lipophilicility parameter LogP of ligands. During the multiple regression analysis, a number of regression equations were derived, which described the relationship of the perfluorane affinity Kaf to the physicochemical properties of drugs and could predict this interaction for both existing and newly synthesized compounds.https://www.reanimatology.com/rmt/article/view/295перфторанлекарственные веществасвязываниепрогнозирование. |
| spellingShingle | N. N. Pshenkina G. A. Sofronov Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of Ligands Общая реаниматология перфторан лекарственные вещества связывание прогнозирование. |
| title | Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of Ligands |
| title_full | Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of Ligands |
| title_fullStr | Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of Ligands |
| title_full_unstemmed | Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of Ligands |
| title_short | Analysis and Prediction of Perfluorane Adsorption of Drugs on the Basis of the Physicochemical Properties of Ligands |
| title_sort | analysis and prediction of perfluorane adsorption of drugs on the basis of the physicochemical properties of ligands |
| topic | перфторан лекарственные вещества связывание прогнозирование. |
| url | https://www.reanimatology.com/rmt/article/view/295 |
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