Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR
Malaria has been one of the most significant public health problems for centuries. QSAR modeling of the antimalarial activity and blood-to-plasma concentration ratio of Chloroquine and a new series of 4-aminoquinoline derivatives were developed using genetic algorithms with multiple linear regressio...
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| Format: | Article |
| Language: | English |
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Wiley
2013-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2013/560415 |
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| author | Amir Najafi Soheil Sobhanardakani Mehdi Marjani |
| author_facet | Amir Najafi Soheil Sobhanardakani Mehdi Marjani |
| author_sort | Amir Najafi |
| collection | DOAJ |
| description | Malaria has been one of the most significant public health problems for centuries. QSAR modeling of the antimalarial activity and blood-to-plasma concentration ratio of Chloroquine and a new series of 4-aminoquinoline derivatives were developed using genetic algorithms with multiple linear regression (GA-MLR) method. We obtained two different models against Chloroquine-sensitive (3D7) and Chloroquine-resistant (W2) strains of Plasmodium falciparum with good adjustment levels. Drug distribution in blood, defined as drug blood-to-plasma concentration ratio (Rb), is related to molecular descriptors. Leave-many-out (LMO) and Y-randomization methods confirmed the models' robustness. |
| format | Article |
| id | doaj-art-2c5ae9f78a61415e8bae2fde5002c722 |
| institution | Kabale University |
| issn | 2090-9063 2090-9071 |
| language | English |
| publishDate | 2013-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Chemistry |
| spelling | doaj-art-2c5ae9f78a61415e8bae2fde5002c7222025-02-03T01:31:31ZengWileyJournal of Chemistry2090-90632090-90712013-01-01201310.1155/2013/560415560415Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLRAmir Najafi0Soheil Sobhanardakani1Mehdi Marjani2Young Researchers Club, Hamedan Branch, Islamic Azad University, Hamedan 65181-15743, IranDepartment of Environment, Hamedan Branch, Islamic Azad University, Hamedan 65181-15743, IranDepartment of Clinical Sciences, Faculty of Veterinary Medicine, Karaj Branch, Islamic Azad University, Karaj 65181-15743, IranMalaria has been one of the most significant public health problems for centuries. QSAR modeling of the antimalarial activity and blood-to-plasma concentration ratio of Chloroquine and a new series of 4-aminoquinoline derivatives were developed using genetic algorithms with multiple linear regression (GA-MLR) method. We obtained two different models against Chloroquine-sensitive (3D7) and Chloroquine-resistant (W2) strains of Plasmodium falciparum with good adjustment levels. Drug distribution in blood, defined as drug blood-to-plasma concentration ratio (Rb), is related to molecular descriptors. Leave-many-out (LMO) and Y-randomization methods confirmed the models' robustness.http://dx.doi.org/10.1155/2013/560415 |
| spellingShingle | Amir Najafi Soheil Sobhanardakani Mehdi Marjani Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR Journal of Chemistry |
| title | Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR |
| title_full | Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR |
| title_fullStr | Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR |
| title_full_unstemmed | Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR |
| title_short | Exploring QSAR for Antimalarial Activities and Drug Distribution within Blood of a Series of 4-Aminoquinoline Drugs Using Genetic-MLR |
| title_sort | exploring qsar for antimalarial activities and drug distribution within blood of a series of 4 aminoquinoline drugs using genetic mlr |
| url | http://dx.doi.org/10.1155/2013/560415 |
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