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Beschreibung
This book comprises an in silico study of caffeine analogues for obtaining drug candidates with potential antioxidant and epithelial anticancer activity. To this end, molecular modeling methods, statistical analysis, virtual screening techniques from pharmacophore, obtaining molecules in the ZINC database, validation of a computational method to obtain chemical-quantitative descriptors, as well as pharmacokinetic and toxicological analyses and molecular docking were used. As a result, two molecules were obtained with top characteristics that allow their indication for further analysis in order to experimentally prove the theoretical results obtained.
An in silico study
Details
| Verlag | Our Knowledge Publishing |
| Ersterscheinung | 04. April 2022 |
| Maße | 22 cm x 15 cm x 0.7 cm |
| Gewicht | 191 Gramm |
| Format | Softcover |
| ISBN-13 | 9786204603711 |
| Seiten | 116 |
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