4-Aminoquinoline-pyrimidine-aminoalkanols: synthesis, in vitro antimalarial activity, docking studies and ADME predictions
| العنوان: | 4-Aminoquinoline-pyrimidine-aminoalkanols: synthesis, in vitro antimalarial activity, docking studies and ADME predictions |
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| المؤلفون: | Prija Ponnan, Diwan S. Rawat, Shabana I. Khan, Anuj Thakur, Mohit Tripathi |
| المصدر: | New Journal of Chemistry. 39:3474-3483 |
| بيانات النشر: | Royal Society of Chemistry (RSC), 2015. |
| سنة النشر: | 2015 |
| مصطلحات موضوعية: | Pyrimidine, biology, Chemistry, Stereochemistry, Wild type, Plasmodium falciparum, General Chemistry, biology.organism_classification, Combinatorial chemistry, Catalysis, In vitro, chemistry.chemical_compound, Docking (molecular), 4-Aminoquinoline, Materials Chemistry, Cytotoxicity, ADME |
| الوصف: | Twenty-four new 4-aminoquinoline-pyrimidine hybrids containing a terminal aliphatic amino-alcohol chain were synthesized and assessed for their antimalarial activity against chloroquine-sensitive (D6) and chloroquine-resistant (W2) strains of Plasmodium falciparum. All of the compounds displayed potent antiplasmodial activities (IC50 values in the range of 0.05–10.47 μM) with no appreciable cytotoxicity towards mammalian cells, up to the highest tested concentration of 12 μM. Molecular docking studies of the most active compounds (8b–8f, 8u and 8v) with both wild type and quadruple mutant Pf-DHFR-TS were performed, which exhibited interactions comparable to conventional folate inhibitors. ADME predictions also revealed favourable pharmacokinetic parameters for the synthesized hybrids, which warrants their suitability for development as potent antimalarials. |
| تدمد: | 1369-9261 1144-0546 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::79b546f4b36815069172b4fa00fef244 https://doi.org/10.1039/c5nj00094g |
| رقم الأكسشن: | edsair.doi...........79b546f4b36815069172b4fa00fef244 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 13699261 11440546 |
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