| |  Online-Ressource |
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| Verfasst von: | Mukesh, Sumit [VerfasserIn]  |
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| | Mukherjee, Goutam [VerfasserIn] |
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| | Singh, Ridhima [VerfasserIn] |
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| | Steenbuck, Nathan [VerfasserIn] |
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| | Demidova, Carolina [VerfasserIn] |
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| | Joshi, Prachi [VerfasserIn] |
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| | Sangamwar, Abhay T. [VerfasserIn] |
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| | Wade, Rebecca C. [VerfasserIn] |
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| Titel: | Comparative analysis of drug-salt-polymer interactions by experiment and molecular simulation improves biopharmaceutical performance |
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| Verf.angabe: | Sumit Mukesh, Goutam Mukherjee, Ridhima Singh, Nathan Steenbuck, Carolina Demidova, Prachi Joshi, Abhay T. Sangamwar & Rebecca C. Wade |
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| E-Jahr: | 2023 |
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| Jahr: | 25 September 2023 |
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| Umfang: | 18 S. |
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| Illustrationen: | Illustrationen |
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| Fussnoten: | Gesehen am 12.06.2024 |
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| Titel Quelle: | Enthalten in: Communications chemistry |
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| Ort Quelle: | [London] : Macmillan Publishers Limited, part of Springer Nature, 2018 |
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| Jahr Quelle: | 2023 |
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| Band/Heft Quelle: | 6(2023), Artikel-ID 201, Seite 1-18 |
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| ISSN Quelle: | 2399-3669 |
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| Abstract: | The propensity of poorly water-soluble drugs to aggregate at supersaturation impedes their bioavailability. Supersaturated amorphous drug-salt-polymer systems provide an emergent approach to this problem. However, the effects of polymers on drug-drug interactions in aqueous phase are largely unexplored and it is unclear how to choose an optimal salt-polymer combination for a particular drug. Here, we describe a comparative experimental and computational characterization of amorphous solid dispersions containing the drug celecoxib, and a polymer, polyvinylpyrrolidone vinyl acetate (PVP-VA) or hydroxypropyl methylcellulose acetate succinate, with or without Na+/K+ salts. Classical models for drug-polymer interactions fail to identify the best drug-salt-polymer combination. In contrast, more stable drug-polymer interaction energies computed from molecular dynamics simulations correlate with prolonged stability of supersaturated amorphous drug-salt-polymer systems, along with better dissolution and pharmacokinetic profiles. The celecoxib-salt-PVP-VA formulations exhibit excellent biopharmaceutical performance, offering the prospect of a low-dosage regimen for this widely used anti-inflammatory, thereby increasing cost-effectiveness, and reducing side-effects. |
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| DOI: | doi:10.1038/s42004-023-01006-0 |
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| URL: | Bitte beachten Sie: Dies ist ein Bibliographieeintrag. Ein Volltextzugriff für Mitglieder der Universität besteht hier nur, falls für die entsprechende Zeitschrift/den entsprechenden Sammelband ein Abonnement besteht oder es sich um einen OpenAccess-Titel handelt.
kostenfrei: Volltext: https://doi.org/10.1038/s42004-023-01006-0 |
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| | kostenfrei: Volltext: https://www.nature.com/articles/s42004-023-01006-0 |
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| | DOI: https://doi.org/10.1038/s42004-023-01006-0 |
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| Datenträger: | Online-Ressource |
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| Sprache: | eng |
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| Sach-SW: | Atomistic models |
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| | Drug delivery |
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| | Pharmaceutics |
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| | Polymers |
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| K10plus-PPN: | 1891116126 |
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| Verknüpfungen: | → Zeitschrift |
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Comparative analysis of drug-salt-polymer interactions by experiment and molecular simulation improves biopharmaceutical performance / Mukesh, Sumit [VerfasserIn]; 25 September 2023 (Online-Ressource)
